5-[(3-methylbenzoyl)amino]-N-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide

C25H22N4O2 — CID 23909781

IUPAC5-[(3-methylbenzoyl)amino]-N-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide
SMILESCc1cccc(C(=O)Nc2c(C(=O)Nc3ccccc3C)cnn2-c2ccccc2)c1
InChIInChI=1S/C25H22N4O2/c1-17-9-8-11-19(15-17)24(30)28-23-21(16-26-29(23)20-12-4-3-5-13-20)25(31)27-22-14-7-6-10-18(22)2/h3-16H,1-2H3,(H,27,31)(H,28,30)
InChIKeyNBBCINAOBJHZPU-UHFFFAOYSA-N
MW410.48 g/mol
LogP4.99
Rot. Bonds5

About 5-[(3-methylbenzoyl)amino]-N-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide

5-[(3-methylbenzoyl)amino]-N-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide (PubChem CID 23909781) has the molecular formula C25H22N4O2 and a molecular weight of 410.48 g/mol. Its IUPAC name is 5-[(3-methylbenzoyl)amino]-N-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-[(3-methylbenzoyl)amino]-N-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide
PubChem CID23909781
Molecular FormulaC25H22N4O2
Molecular Weight410.48 g/mol
Exact Mass410.17
IUPAC Name5-[(3-methylbenzoyl)amino]-N-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide
SMILESCc1cccc(C(=O)Nc2c(C(=O)Nc3ccccc3C)cnn2-c2ccccc2)c1
InChIInChI=1S/C25H22N4O2/c1-17-9-8-11-19(15-17)24(30)28-23-21(16-26-29(23)20-12-4-3-5-13-20)25(31)27-22-14-7-6-10-18(22)2/h3-16H,1-2H3,(H,27,31)(H,28,30)
InChIKeyNBBCINAOBJHZPU-UHFFFAOYSA-N
XLogP4.99
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 54.99
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-fluorobenzoyl)amino]-N-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 1347968
5-[(2-chlorobenzoyl)amino]-N-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 3109213
N-(2,5-dimethylphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 850670
5-benzamido-1-phenylpyrazole-4-carboxylic acid
CID 16638016
3-methyl-N-[4-[(2-methylphenyl)carbamoyl]phenyl]benzamide
CID 23857052
5-[(4-methylbenzoyl)amino]-1-phenyl-N-pyridin-3-ylpyrazole-4-carboxamide
CID 1365341
N-(4-methyl-1-phenylpyrazol-5-yl)pyridine-3-carboxamide
CID 99818669
5-[(4-methylbenzoyl)amino]-1-phenyl-N-propylpyrazole-4-carboxamide
CID 2298695
5-methyl-1-(3-methylphenyl)-N-(2-methylsulfanylphenyl)pyrazole-4-carboxamide
CID 36704468
N-(3,4-dimethylphenyl)-5-[(2-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxamide
CID 1067712
N-[4-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-methylphenyl)pyrazol-5-yl]-3-methylbenzamide
CID 166068140

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methylbenzoyl)amino]-N-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 5-[(3-methylbenzoyl)amino]-N-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide (CID 23909781) is 5-[(3-methylbenzoyl)amino]-N-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 5-[(3-methylbenzoyl)amino]-N-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 5-[(3-methylbenzoyl)amino]-N-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide is Cc1cccc(C(=O)Nc2c(C(=O)Nc3ccccc3C)cnn2-c2ccccc2)c1.
What is the InChIKey of 5-[(3-methylbenzoyl)amino]-N-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is NBBCINAOBJHZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O2/c1-17-9-8-11-19(15-17)24(30)28-23-21(16-26-29(23)20-12-4-3-5-13-20)25(31)27-22-14-7-6-10-18(22)2/h3-16H,1-2H3,(H,27,31)(H,28,30).
What are the key properties of 5-[(3-methylbenzoyl)amino]-N-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide?
5-[(3-methylbenzoyl)amino]-N-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 410.48 g/mol, XLogP of 4.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methylbenzoyl)amino]-N-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 23909781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).