5-[(4-methylbenzoyl)amino]-1-phenyl-N-propylpyrazole-4-carboxamide

C21H22N4O2 — CID 2298695

IUPAC5-[(4-methylbenzoyl)amino]-1-phenyl-N-propylpyrazole-4-carboxamide
SMILESCCCNC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1ccc(C)cc1
InChIInChI=1S/C21H22N4O2/c1-3-13-22-21(27)18-14-23-25(17-7-5-4-6-8-17)19(18)24-20(26)16-11-9-15(2)10-12-16/h4-12,14H,3,13H2,1-2H3,(H,22,27)(H,24,26)
InChIKeyOCWNSKYNQLTABU-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.57
Rot. Bonds6

About 5-[(4-methylbenzoyl)amino]-1-phenyl-N-propylpyrazole-4-carboxamide

5-[(4-methylbenzoyl)amino]-1-phenyl-N-propylpyrazole-4-carboxamide (PubChem CID 2298695) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 5-[(4-methylbenzoyl)amino]-1-phenyl-N-propylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-[(4-methylbenzoyl)amino]-1-phenyl-N-propylpyrazole-4-carboxamide
PubChem CID2298695
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name5-[(4-methylbenzoyl)amino]-1-phenyl-N-propylpyrazole-4-carboxamide
SMILESCCCNC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1ccc(C)cc1
InChIInChI=1S/C21H22N4O2/c1-3-13-22-21(27)18-14-23-25(17-7-5-4-6-8-17)19(18)24-20(26)16-11-9-15(2)10-12-16/h4-12,14H,3,13H2,1-2H3,(H,22,27)(H,24,26)
InChIKeyOCWNSKYNQLTABU-UHFFFAOYSA-N
XLogP3.57
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-methylbenzoyl)amino]-1-phenyl-N-pyridin-3-ylpyrazole-4-carboxamide
CID 1365341
5-[(4-chlorobenzoyl)amino]-N,N-diethyl-1-phenylpyrazole-4-carboxamide
CID 108768336
5-benzamido-1-phenylpyrazole-4-carboxylic acid
CID 16638016
N,N-diethyl-1-phenyl-5-[(4-propan-2-ylbenzoyl)amino]pyrazole-4-carboxamide
CID 108746075
5-[(3-fluorobenzoyl)amino]-N-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 1347968
5-benzamido-N-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 3109206
ethyl 5-[(1-ethylpyrazole-4-carbonyl)amino]-1-phenylpyrazole-4-carboxylate
CID 19281004
5-methyl-N-pentyl-1-phenylpyrazole-4-carboxamide
CID 34317853
ethane;5-[(4-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxamide
CID 143258587
N-benzyl-5-[(2-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxamide
CID 5184412
5-[(3-methylbenzoyl)amino]-N-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 23909781
N-[4-(diethylcarbamoyl)-1-phenylpyrazol-5-yl]pyridine-2-carboxamide
CID 108746061

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methylbenzoyl)amino]-1-phenyl-N-propylpyrazole-4-carboxamide?
The IUPAC name of 5-[(4-methylbenzoyl)amino]-1-phenyl-N-propylpyrazole-4-carboxamide (CID 2298695) is 5-[(4-methylbenzoyl)amino]-1-phenyl-N-propylpyrazole-4-carboxamide.
What is the SMILES notation for 5-[(4-methylbenzoyl)amino]-1-phenyl-N-propylpyrazole-4-carboxamide?
The canonical SMILES for 5-[(4-methylbenzoyl)amino]-1-phenyl-N-propylpyrazole-4-carboxamide is CCCNC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1ccc(C)cc1.
What is the InChIKey of 5-[(4-methylbenzoyl)amino]-1-phenyl-N-propylpyrazole-4-carboxamide?
The InChIKey is OCWNSKYNQLTABU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-3-13-22-21(27)18-14-23-25(17-7-5-4-6-8-17)19(18)24-20(26)16-11-9-15(2)10-12-16/h4-12,14H,3,13H2,1-2H3,(H,22,27)(H,24,26).
What are the key properties of 5-[(4-methylbenzoyl)amino]-1-phenyl-N-propylpyrazole-4-carboxamide?
5-[(4-methylbenzoyl)amino]-1-phenyl-N-propylpyrazole-4-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methylbenzoyl)amino]-1-phenyl-N-propylpyrazole-4-carboxamide is sourced from PubChem (CID 2298695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).