1-methyl-4-[(2-methylbenzoyl)amino]pyrazole-5-carboxamide

C13H14N4O2 — CID 4865270

IUPAC1-methyl-4-[(2-methylbenzoyl)amino]pyrazole-5-carboxamide
SMILESCc1ccccc1C(=O)Nc1cnn(C)c1C(N)=O
InChIInChI=1S/C13H14N4O2/c1-8-5-3-4-6-9(8)13(19)16-10-7-15-17(2)11(10)12(14)18/h3-7H,1-2H3,(H2,14,18)(H,16,19)
InChIKeyRGHXWWWMRVEVFD-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.08
Rot. Bonds3

About 1-methyl-4-[(2-methylbenzoyl)amino]pyrazole-5-carboxamide

1-methyl-4-[(2-methylbenzoyl)amino]pyrazole-5-carboxamide (PubChem CID 4865270) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 1-methyl-4-[(2-methylbenzoyl)amino]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-4-[(2-methylbenzoyl)amino]pyrazole-5-carboxamide
PubChem CID4865270
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name1-methyl-4-[(2-methylbenzoyl)amino]pyrazole-5-carboxamide
SMILESCc1ccccc1C(=O)Nc1cnn(C)c1C(N)=O
InChIInChI=1S/C13H14N4O2/c1-8-5-3-4-6-9(8)13(19)16-10-7-15-17(2)11(10)12(14)18/h3-7H,1-2H3,(H2,14,18)(H,16,19)
InChIKeyRGHXWWWMRVEVFD-UHFFFAOYSA-N
XLogP1.08
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-4-[(2-methylbenzoyl)amino]-N-propylpyrazole-5-carboxamide
CID 4865439
4-[(2,3-dichlorobenzoyl)amino]-1-methylpyrazole-5-carboxamide
CID 19412367
4-[(5-carbamoyl-1-methylpyrazol-4-yl)carbamoyl]-1-methylpyrazole-5-carboxylic acid
CID 19496258
4-[(4-chlorobenzoyl)amino]-1-methylpyrazole-5-carboxamide
CID 4862680
4-[(4-fluorobenzoyl)amino]-1-methylpyrazole-5-carboxamide
CID 4867279
1-methyl-4-(3-phenylpropanoylamino)pyrazole-5-carboxamide
CID 19410607
4-[(5-bromofuran-2-carbonyl)amino]-1-methylpyrazole-5-carboxamide
CID 4768049
N-(5-carbamoyl-1-methylpyrazol-4-yl)-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4867890
N-(5-carbamoyl-1-methylpyrazol-4-yl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 4862758
2-methyl-N-(2-methylpyrazol-3-yl)benzamide
CID 66675219
1-methyl-4-[(2,2,2-trifluoroacetyl)amino]pyrazole-5-carboxamide
CID 19412294
N-(1,5-dimethylpyrazol-4-yl)-1-methyl-4-[(2-nitrobenzoyl)amino]pyrazole-5-carboxamide
CID 19411125

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(2-methylbenzoyl)amino]pyrazole-5-carboxamide?
The IUPAC name of 1-methyl-4-[(2-methylbenzoyl)amino]pyrazole-5-carboxamide (CID 4865270) is 1-methyl-4-[(2-methylbenzoyl)amino]pyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-4-[(2-methylbenzoyl)amino]pyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-4-[(2-methylbenzoyl)amino]pyrazole-5-carboxamide is Cc1ccccc1C(=O)Nc1cnn(C)c1C(N)=O.
What is the InChIKey of 1-methyl-4-[(2-methylbenzoyl)amino]pyrazole-5-carboxamide?
The InChIKey is RGHXWWWMRVEVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-8-5-3-4-6-9(8)13(19)16-10-7-15-17(2)11(10)12(14)18/h3-7H,1-2H3,(H2,14,18)(H,16,19).
What are the key properties of 1-methyl-4-[(2-methylbenzoyl)amino]pyrazole-5-carboxamide?
1-methyl-4-[(2-methylbenzoyl)amino]pyrazole-5-carboxamide has a molecular weight of 258.28 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(2-methylbenzoyl)amino]pyrazole-5-carboxamide is sourced from PubChem (CID 4865270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).