5-[(3-fluorobenzoyl)amino]-N-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide

C24H19FN4O2 — CID 1347968

IUPAC5-[(3-fluorobenzoyl)amino]-N-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2cnn(-c3ccccc3)c2NC(=O)c2cccc(F)c2)cc1
InChIInChI=1S/C24H19FN4O2/c1-16-10-12-19(13-11-16)27-24(31)21-15-26-29(20-8-3-2-4-9-20)22(21)28-23(30)17-6-5-7-18(25)14-17/h2-15H,1H3,(H,27,31)(H,28,30)
InChIKeyGBZCRMFXHXTXDU-UHFFFAOYSA-N
MW414.44 g/mol
LogP4.82
Rot. Bonds5

About 5-[(3-fluorobenzoyl)amino]-N-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide

5-[(3-fluorobenzoyl)amino]-N-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide (PubChem CID 1347968) has the molecular formula C24H19FN4O2 and a molecular weight of 414.44 g/mol. Its IUPAC name is 5-[(3-fluorobenzoyl)amino]-N-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-[(3-fluorobenzoyl)amino]-N-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
PubChem CID1347968
Molecular FormulaC24H19FN4O2
Molecular Weight414.44 g/mol
Exact Mass414.15
IUPAC Name5-[(3-fluorobenzoyl)amino]-N-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2cnn(-c3ccccc3)c2NC(=O)c2cccc(F)c2)cc1
InChIInChI=1S/C24H19FN4O2/c1-16-10-12-19(13-11-16)27-24(31)21-15-26-29(20-8-3-2-4-9-20)22(21)28-23(30)17-6-5-7-18(25)14-17/h2-15H,1H3,(H,27,31)(H,28,30)
InChIKeyGBZCRMFXHXTXDU-UHFFFAOYSA-N
XLogP4.82
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.44
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-benzamido-N-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 3109206
5-[(3-methylbenzoyl)amino]-N-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 23909781
5-[(4-methylbenzoyl)amino]-1-phenyl-N-pyridin-3-ylpyrazole-4-carboxamide
CID 1365341
N-[4-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-1-phenylpyrazol-5-yl]-3-fluorobenzamide
CID 1068289
N-(3,4-dimethylphenyl)-5-[(2-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxamide
CID 1067712
5-[(4-methylbenzoyl)amino]-1-phenyl-N-propylpyrazole-4-carboxamide
CID 2298695
5-[(2-chlorobenzoyl)amino]-N-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 3109213
N-(4-bromophenyl)-5-[(2-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxamide
CID 1067674
3-N-(3-fluorophenyl)-1-N-(4-methylphenyl)benzene-1,3-dicarboxamide
CID 109056998
5-benzamido-1-phenylpyrazole-4-carboxylic acid
CID 16638016
N-[4-(4-benzylpiperidine-1-carbonyl)-1-phenylpyrazol-5-yl]-3-fluorobenzamide
CID 2892347
N-(4-methylphenyl)-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20885984

Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluorobenzoyl)amino]-N-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 5-[(3-fluorobenzoyl)amino]-N-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide (CID 1347968) is 5-[(3-fluorobenzoyl)amino]-N-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 5-[(3-fluorobenzoyl)amino]-N-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 5-[(3-fluorobenzoyl)amino]-N-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide is Cc1ccc(NC(=O)c2cnn(-c3ccccc3)c2NC(=O)c2cccc(F)c2)cc1.
What is the InChIKey of 5-[(3-fluorobenzoyl)amino]-N-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is GBZCRMFXHXTXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN4O2/c1-16-10-12-19(13-11-16)27-24(31)21-15-26-29(20-8-3-2-4-9-20)22(21)28-23(30)17-6-5-7-18(25)14-17/h2-15H,1H3,(H,27,31)(H,28,30).
What are the key properties of 5-[(3-fluorobenzoyl)amino]-N-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide?
5-[(3-fluorobenzoyl)amino]-N-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 414.44 g/mol, XLogP of 4.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluorobenzoyl)amino]-N-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 1347968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).