5-[(2-fluorobenzoyl)amino]-N-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide

C24H19FN4O3 — CID 1284315

IUPAC5-[(2-fluorobenzoyl)amino]-N-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cnn(-c3ccccc3)c2NC(=O)c2ccccc2F)cc1
InChIInChI=1S/C24H19FN4O3/c1-32-18-13-11-16(12-14-18)27-24(31)20-15-26-29(17-7-3-2-4-8-17)22(20)28-23(30)19-9-5-6-10-21(19)25/h2-15H,1H3,(H,27,31)(H,28,30)
InChIKeyNWTIEDNGRVAIEX-UHFFFAOYSA-N
MW430.44 g/mol
LogP4.52
Rot. Bonds6

About 5-[(2-fluorobenzoyl)amino]-N-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide

5-[(2-fluorobenzoyl)amino]-N-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide (PubChem CID 1284315) has the molecular formula C24H19FN4O3 and a molecular weight of 430.44 g/mol. Its IUPAC name is 5-[(2-fluorobenzoyl)amino]-N-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-[(2-fluorobenzoyl)amino]-N-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
PubChem CID1284315
Molecular FormulaC24H19FN4O3
Molecular Weight430.44 g/mol
Exact Mass430.14
IUPAC Name5-[(2-fluorobenzoyl)amino]-N-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cnn(-c3ccccc3)c2NC(=O)c2ccccc2F)cc1
InChIInChI=1S/C24H19FN4O3/c1-32-18-13-11-16(12-14-18)27-24(31)20-15-26-29(17-7-3-2-4-8-17)22(20)28-23(30)19-9-5-6-10-21(19)25/h2-15H,1H3,(H,27,31)(H,28,30)
InChIKeyNWTIEDNGRVAIEX-UHFFFAOYSA-N
XLogP4.52
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.44
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluorobenzoyl)amino]-N-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 5-[(2-fluorobenzoyl)amino]-N-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide (CID 1284315) is 5-[(2-fluorobenzoyl)amino]-N-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 5-[(2-fluorobenzoyl)amino]-N-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 5-[(2-fluorobenzoyl)amino]-N-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide is COc1ccc(NC(=O)c2cnn(-c3ccccc3)c2NC(=O)c2ccccc2F)cc1.
What is the InChIKey of 5-[(2-fluorobenzoyl)amino]-N-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is NWTIEDNGRVAIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN4O3/c1-32-18-13-11-16(12-14-18)27-24(31)20-15-26-29(17-7-3-2-4-8-17)22(20)28-23(30)19-9-5-6-10-21(19)25/h2-15H,1H3,(H,27,31)(H,28,30).
What are the key properties of 5-[(2-fluorobenzoyl)amino]-N-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide?
5-[(2-fluorobenzoyl)amino]-N-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 430.44 g/mol, XLogP of 4.52, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluorobenzoyl)amino]-N-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 1284315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).