1-methyl-N-[3-(methylcarbamoyl)phenyl]pyrazole-4-carboxamide

C13H14N4O2 — CID 18146246

IUPAC1-methyl-N-[3-(methylcarbamoyl)phenyl]pyrazole-4-carboxamide
SMILESCNC(=O)c1cccc(NC(=O)c2cnn(C)c2)c1
InChIInChI=1S/C13H14N4O2/c1-14-12(18)9-4-3-5-11(6-9)16-13(19)10-7-15-17(2)8-10/h3-8H,1-2H3,(H,14,18)(H,16,19)
InChIKeyYUWSLGINKDPJEC-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.03
Rot. Bonds3

About 1-methyl-N-[3-(methylcarbamoyl)phenyl]pyrazole-4-carboxamide

1-methyl-N-[3-(methylcarbamoyl)phenyl]pyrazole-4-carboxamide (PubChem CID 18146246) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 1-methyl-N-[3-(methylcarbamoyl)phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[3-(methylcarbamoyl)phenyl]pyrazole-4-carboxamide
PubChem CID18146246
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name1-methyl-N-[3-(methylcarbamoyl)phenyl]pyrazole-4-carboxamide
SMILESCNC(=O)c1cccc(NC(=O)c2cnn(C)c2)c1
InChIInChI=1S/C13H14N4O2/c1-14-12(18)9-4-3-5-11(6-9)16-13(19)10-7-15-17(2)8-10/h3-8H,1-2H3,(H,14,18)(H,16,19)
InChIKeyYUWSLGINKDPJEC-UHFFFAOYSA-N
XLogP1.03
TPSA76.02 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 ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(dimethylamino)phenyl]-1-methylpyrazole-4-carboxamide
CID 110461785
1-methyl-N-(3-pyrrol-1-ylphenyl)pyrazole-4-carboxamide
CID 110471452
1-methyl-N-[4-(methylcarbamoylamino)phenyl]pyrazole-4-carboxamide
CID 47143175
1-[(2-chlorophenyl)methyl]-N-[3-(methylcarbamoyl)phenyl]pyrazole-4-carboxamide
CID 17476630
N-(4-bromo-3-chlorophenyl)-1-methylpyrazole-4-carboxamide
CID 103824882
N-(3,5-dichloro-4-hydroxyphenyl)-1-methylpyrazole-4-carboxamide
CID 82885113
3-(1-methylpyrazol-4-yl)-N-pyridin-4-ylbenzamide
CID 110486276
3-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]-N-methylbenzamide
CID 134050295
3-(1-methylpyrazol-4-yl)-N-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 169417027
5-[(1-methylpyrazole-4-carbonyl)amino]pyridine-3-carboxylic acid
CID 63153723
1-N-methyl-3-N-(3-methylphenyl)benzene-1,3-dicarboxamide
CID 58018070
1-methyl-N-[4-(methylaminomethyl)phenyl]pyrazole-4-carboxamide
CID 106909878

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[3-(methylcarbamoyl)phenyl]pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-N-[3-(methylcarbamoyl)phenyl]pyrazole-4-carboxamide (CID 18146246) is 1-methyl-N-[3-(methylcarbamoyl)phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[3-(methylcarbamoyl)phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-[3-(methylcarbamoyl)phenyl]pyrazole-4-carboxamide is CNC(=O)c1cccc(NC(=O)c2cnn(C)c2)c1.
What is the InChIKey of 1-methyl-N-[3-(methylcarbamoyl)phenyl]pyrazole-4-carboxamide?
The InChIKey is YUWSLGINKDPJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-14-12(18)9-4-3-5-11(6-9)16-13(19)10-7-15-17(2)8-10/h3-8H,1-2H3,(H,14,18)(H,16,19).
What are the key properties of 1-methyl-N-[3-(methylcarbamoyl)phenyl]pyrazole-4-carboxamide?
1-methyl-N-[3-(methylcarbamoyl)phenyl]pyrazole-4-carboxamide has a molecular weight of 258.28 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[3-(methylcarbamoyl)phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 18146246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).