3-[(2-chlorobenzoyl)amino]-4-methyl-N-(1-phenylethyl)-1H-pyrazole-5-carboxamide

C20H19ClN4O2 — CID 71127993

IUPAC3-[(2-chlorobenzoyl)amino]-4-methyl-N-(1-phenylethyl)-1H-pyrazole-5-carboxamide
SMILESCc1c(NC(=O)c2ccccc2Cl)n[nH]c1C(=O)NC(C)c1ccccc1
InChIInChI=1S/C20H19ClN4O2/c1-12-17(20(27)22-13(2)14-8-4-3-5-9-14)24-25-18(12)23-19(26)15-10-6-7-11-16(15)21/h3-11,13H,1-2H3,(H,22,27)(H2,23,24,25,26)
InChIKeyPKGOLWLDWZXHMR-UHFFFAOYSA-N
MW382.85 g/mol
LogP4.11
Rot. Bonds5

About 3-[(2-chlorobenzoyl)amino]-4-methyl-N-(1-phenylethyl)-1H-pyrazole-5-carboxamide

3-[(2-chlorobenzoyl)amino]-4-methyl-N-(1-phenylethyl)-1H-pyrazole-5-carboxamide (PubChem CID 71127993) has the molecular formula C20H19ClN4O2 and a molecular weight of 382.85 g/mol. Its IUPAC name is 3-[(2-chlorobenzoyl)amino]-4-methyl-N-(1-phenylethyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-[(2-chlorobenzoyl)amino]-4-methyl-N-(1-phenylethyl)-1H-pyrazole-5-carboxamide
PubChem CID71127993
Molecular FormulaC20H19ClN4O2
Molecular Weight382.85 g/mol
Exact Mass382.12
IUPAC Name3-[(2-chlorobenzoyl)amino]-4-methyl-N-(1-phenylethyl)-1H-pyrazole-5-carboxamide
SMILESCc1c(NC(=O)c2ccccc2Cl)n[nH]c1C(=O)NC(C)c1ccccc1
InChIInChI=1S/C20H19ClN4O2/c1-12-17(20(27)22-13(2)14-8-4-3-5-9-14)24-25-18(12)23-19(26)15-10-6-7-11-16(15)21/h3-11,13H,1-2H3,(H,22,27)(H2,23,24,25,26)
InChIKeyPKGOLWLDWZXHMR-UHFFFAOYSA-N
XLogP4.11
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.85
LogP ≤ 54.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-chlorobenzoyl)amino]-4-methyl-N-[(1S)-1-phenylethyl]-1H-pyrazole-5-carboxamide
CID 59773565
3-[(2-chlorobenzoyl)amino]-4-methyl-N-propan-2-yl-1H-pyrazole-5-carboxamide
CID 11313245
4-bromo-3-[(2-chlorobenzoyl)amino]-N-[(1R)-1-(4-methylphenyl)ethyl]-1H-pyrazole-5-carboxamide
CID 59773566
4-chloro-N-(1-phenylethyl)-1H-pyrazole-5-carboxamide
CID 17026858
2-[3-[(2-chlorobenzoyl)amino]-4-methyl-1H-pyrazol-5-yl]but-3-enoic acid
CID 68960596
4-bromo-3-[(2-chlorobenzoyl)amino]-N-(1-hydroxy-3-methylbutan-2-yl)-1H-pyrazole-5-carboxamide
CID 11293323
2-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]benzamide
CID 8751519
2-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]benzamide
CID 8751520
5-methyl-N-[(1R)-1-phenylethyl]-1H-pyrazole-3-carboxamide
CID 167867029
4-bromo-3-[(2-chlorobenzoyl)amino]-N-[(2R)-1-[ethyl(methyl)amino]propan-2-yl]-1H-pyrazole-5-carboxamide
CID 59773485
4-bromo-3-[(2-chlorobenzoyl)amino]-N-[(2R)-1-(dimethylamino)-1-oxobutan-2-yl]-1H-pyrazole-5-carboxamide
CID 11259614
2-amino-3-chloro-N-(1-phenylethyl)benzamide
CID 82546896

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorobenzoyl)amino]-4-methyl-N-(1-phenylethyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-[(2-chlorobenzoyl)amino]-4-methyl-N-(1-phenylethyl)-1H-pyrazole-5-carboxamide (CID 71127993) is 3-[(2-chlorobenzoyl)amino]-4-methyl-N-(1-phenylethyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-[(2-chlorobenzoyl)amino]-4-methyl-N-(1-phenylethyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-[(2-chlorobenzoyl)amino]-4-methyl-N-(1-phenylethyl)-1H-pyrazole-5-carboxamide is Cc1c(NC(=O)c2ccccc2Cl)n[nH]c1C(=O)NC(C)c1ccccc1.
What is the InChIKey of 3-[(2-chlorobenzoyl)amino]-4-methyl-N-(1-phenylethyl)-1H-pyrazole-5-carboxamide?
The InChIKey is PKGOLWLDWZXHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O2/c1-12-17(20(27)22-13(2)14-8-4-3-5-9-14)24-25-18(12)23-19(26)15-10-6-7-11-16(15)21/h3-11,13H,1-2H3,(H,22,27)(H2,23,24,25,26).
What are the key properties of 3-[(2-chlorobenzoyl)amino]-4-methyl-N-(1-phenylethyl)-1H-pyrazole-5-carboxamide?
3-[(2-chlorobenzoyl)amino]-4-methyl-N-(1-phenylethyl)-1H-pyrazole-5-carboxamide has a molecular weight of 382.85 g/mol, XLogP of 4.11, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorobenzoyl)amino]-4-methyl-N-(1-phenylethyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 71127993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).