1-methyl-4-(3-phenylpropanoylamino)pyrazole-5-carboxamide

C14H16N4O2 — CID 19410607

IUPAC1-methyl-4-(3-phenylpropanoylamino)pyrazole-5-carboxamide
SMILESCn1ncc(NC(=O)CCc2ccccc2)c1C(N)=O
InChIInChI=1S/C14H16N4O2/c1-18-13(14(15)20)11(9-16-18)17-12(19)8-7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H2,15,20)(H,17,19)
InChIKeyILEZVIJTNVZZQU-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.09
Rot. Bonds5

About 1-methyl-4-(3-phenylpropanoylamino)pyrazole-5-carboxamide

1-methyl-4-(3-phenylpropanoylamino)pyrazole-5-carboxamide (PubChem CID 19410607) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 1-methyl-4-(3-phenylpropanoylamino)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-4-(3-phenylpropanoylamino)pyrazole-5-carboxamide
PubChem CID19410607
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name1-methyl-4-(3-phenylpropanoylamino)pyrazole-5-carboxamide
SMILESCn1ncc(NC(=O)CCc2ccccc2)c1C(N)=O
InChIInChI=1S/C14H16N4O2/c1-18-13(14(15)20)11(9-16-18)17-12(19)8-7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H2,15,20)(H,17,19)
InChIKeyILEZVIJTNVZZQU-UHFFFAOYSA-N
XLogP1.09
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,5-dimethylpyrazol-4-yl)-3-phenylpropanamide
CID 19399602
3-[5-[(5-carbamoyl-1-methylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19490170
4-(3-phenylpropanoylamino)benzamide
CID 675903
N-(1,5-dimethylpyrazol-3-yl)-3-phenylpropanamide
CID 35761194
3-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 19346499
4-[(4-chlorobenzoyl)amino]-1-methylpyrazole-5-carboxamide
CID 4862680
5-[(5-carbamoyl-1-ethylpyrazol-4-yl)carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 19494263
1-methyl-4-[3-(5-methyl-3-nitropyrazol-1-yl)propanoylamino]pyrazole-5-carboxamide
CID 19412295
4-[3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-methylpyrazole-5-carboxamide
CID 19412305
1-methyl-5-[(2-phenylacetyl)amino]pyrazole-4-carboxamide
CID 110472119
N-(1-methyl-5-phenylpyrazol-4-yl)butanamide
CID 110664720
3-phenyl-N-[1-(2-phenylethyl)pyrazol-4-yl]propanamide
CID 95744744

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(3-phenylpropanoylamino)pyrazole-5-carboxamide?
The IUPAC name of 1-methyl-4-(3-phenylpropanoylamino)pyrazole-5-carboxamide (CID 19410607) is 1-methyl-4-(3-phenylpropanoylamino)pyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-4-(3-phenylpropanoylamino)pyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-4-(3-phenylpropanoylamino)pyrazole-5-carboxamide is Cn1ncc(NC(=O)CCc2ccccc2)c1C(N)=O.
What is the InChIKey of 1-methyl-4-(3-phenylpropanoylamino)pyrazole-5-carboxamide?
The InChIKey is ILEZVIJTNVZZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-18-13(14(15)20)11(9-16-18)17-12(19)8-7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H2,15,20)(H,17,19).
What are the key properties of 1-methyl-4-(3-phenylpropanoylamino)pyrazole-5-carboxamide?
1-methyl-4-(3-phenylpropanoylamino)pyrazole-5-carboxamide has a molecular weight of 272.31 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(3-phenylpropanoylamino)pyrazole-5-carboxamide is sourced from PubChem (CID 19410607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).