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

C13H14N4O2 — CID 110472119

IUPAC1-methyl-5-[(2-phenylacetyl)amino]pyrazole-4-carboxamide
SMILESCn1ncc(C(N)=O)c1NC(=O)Cc1ccccc1
InChIInChI=1S/C13H14N4O2/c1-17-13(10(8-15-17)12(14)19)16-11(18)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H2,14,19)(H,16,18)
InChIKeyYFJAVGNIRQMUIK-UHFFFAOYSA-N
MW258.28 g/mol
LogP0.70
Rot. Bonds4

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

1-methyl-5-[(2-phenylacetyl)amino]pyrazole-4-carboxamide (PubChem CID 110472119) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 1-methyl-5-[(2-phenylacetyl)amino]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-5-[(2-phenylacetyl)amino]pyrazole-4-carboxamide
PubChem CID110472119
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name1-methyl-5-[(2-phenylacetyl)amino]pyrazole-4-carboxamide
SMILESCn1ncc(C(N)=O)c1NC(=O)Cc1ccccc1
InChIInChI=1S/C13H14N4O2/c1-17-13(10(8-15-17)12(14)19)16-11(18)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H2,14,19)(H,16,18)
InChIKeyYFJAVGNIRQMUIK-UHFFFAOYSA-N
XLogP0.70
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2-aminoacetyl)amino]-1-methylpyrazole-4-carboxylic acid
CID 110477668
1-methyl-5-(propanoylamino)pyrazole-4-carboxylic acid
CID 110477561
tert-butyl N-(4-carbamoyl-1-methylpyrazol-5-yl)carbamate
CID 135361965
ethyl 5-(3,3-diphenylpropanoylamino)-1-methylpyrazole-4-carboxylate
CID 108738872
2-[(5-benzyl-1-methylpyrazole-4-carbonyl)amino]quinoline-4-carboxamide
CID 167973640
N-(4-carbamothioyl-1-methylpyrazol-5-yl)-2-methylpropanamide
CID 79500593
ethyl 5-[(2-benzamidoacetyl)amino]-1-methylpyrazole-4-carboxylate
CID 108761488
5-amino-N-benzyl-1-methylpyrazole-4-carboxamide
CID 13174826
N-[5-(1-methyl-6-oxopyridazin-4-yl)-2-pyridinyl]-2-phenylacetamide
CID 155597474
N-(4-carbamothioyl-1-methylpyrazol-5-yl)-3-(furan-2-yl)propanamide
CID 79500148
5-(3-chloropropanoylamino)-1-methylpyrazole-4-carboxylic acid
CID 110480863
1-methyl-4-(3-phenylpropanoylamino)pyrazole-5-carboxamide
CID 19410607

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[(2-phenylacetyl)amino]pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-5-[(2-phenylacetyl)amino]pyrazole-4-carboxamide (CID 110472119) is 1-methyl-5-[(2-phenylacetyl)amino]pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-5-[(2-phenylacetyl)amino]pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-5-[(2-phenylacetyl)amino]pyrazole-4-carboxamide is Cn1ncc(C(N)=O)c1NC(=O)Cc1ccccc1.
What is the InChIKey of 1-methyl-5-[(2-phenylacetyl)amino]pyrazole-4-carboxamide?
The InChIKey is YFJAVGNIRQMUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-17-13(10(8-15-17)12(14)19)16-11(18)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H2,14,19)(H,16,18).
What are the key properties of 1-methyl-5-[(2-phenylacetyl)amino]pyrazole-4-carboxamide?
1-methyl-5-[(2-phenylacetyl)amino]pyrazole-4-carboxamide has a molecular weight of 258.28 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[(2-phenylacetyl)amino]pyrazole-4-carboxamide is sourced from PubChem (CID 110472119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).