CAS 330792-70-6

LGM Pharma accelerates & optimizes the new product pathway from early development through commercialization.

Virtual Booth

Contact Supplier

Munit offers scalable GMP micronization and particle size engineering to enhance drug solubility, bioavailability, and performance.

CHEMISTRY

Discover Molecule Insights

BUILDING BLOCK

5 Suppliers, 5 End Use APIs, 47 Related Intermediates

5 Suppliers
5 End Use APIs
47 Related Intermediates

Chemistry

Click the arrow to open the dropdown

Click the button for full data set

Also known as: 330792-70-6, 3-amino-5-(4-phenoxyphenyl)pyrazole-4-carbonitrile, 3-amino-5-(4-phenoxyphenyl)-1h-pyrazole-4-carbonitrile, 1h-pyrazole-4-carbonitrile, 3-amino-5-(4-phenoxyphenyl)-, 3-amino-4-cyano-5-(4-phenoxyphenyl)pyrazole, Mfcd28137676

Molecular Formula

C₁₆H₁₂N₄O

Molecular Weight

276.29 g/mol

InChI Key

HNIMEQCLCNSCGH-UHFFFAOYSA-N

1 2D Structure

CAS 330792-70-6

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-amino-5-(4-phenoxyphenyl)-1H-pyrazole-4-carbonitrile

2.1.2 InChI

InChI=1S/C16H12N4O/c17-10-14-15(19-20-16(14)18)11-6-8-13(9-7-11)21-12-4-2-1-3-5-12/h1-9H,(H3,18,19,20)

2.1.3 InChI Key

HNIMEQCLCNSCGH-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)C3=C(C(=NN3)N)C#N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 330792-70-6

2. 3-amino-5-(4-phenoxyphenyl)pyrazole-4-carbonitrile

3. 3-amino-5-(4-phenoxyphenyl)-1h-pyrazole-4-carbonitrile

4. 1h-pyrazole-4-carbonitrile, 3-amino-5-(4-phenoxyphenyl)-

5. 3-amino-4-cyano-5-(4-phenoxyphenyl)pyrazole

6. Mfcd28137676

7. Schembl202119

8. Schembl15472736

9. Amy8943

10. Dtxsid40625079

11. Bcp11040

12. Cs-m2596

13. Zinc82049716

14. Akos016003989

15. Ac-28743

16. Cs-13107

17. Da-24246

18. Sy033527

19. Ft-0754454

20. 3-amino-4-cyano-5-(4-phenoxypheny1)pyrazole

21. S10997

22. A855834

23. Nitrilotriaceticacidtrisodiumsaltmonohydrate

24. J-019007

25. 3-amino-5-(4-phenoxyphenyl)-(1h)-pyrazole-4-carbonitrile

26. 5-amino-3-(4-phenoxy Phenyl)-1h-pyrazole-4-carbonitrile

2.3 Create Date

2007-12-05

3 Chemical and Physical Properties

Molecular Formula	C₁₆H₁₂N₄O
Molecular Weight	276.29 g/mol
XLogP3	3.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	276.10111102 g/mol
Monoisotopic Mass	276.10111102 g/mol
Topological Polar Surface Area	87.7 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	379
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1