1-(3-aminophenyl)-N-propan-2-ylpyrazole-3-carboxamide

C13H16N4O — CID 43475412

IUPAC1-(3-aminophenyl)-N-propan-2-ylpyrazole-3-carboxamide
SMILESCC(C)NC(=O)c1ccn(-c2cccc(N)c2)n1
InChIInChI=1S/C13H16N4O/c1-9(2)15-13(18)12-6-7-17(16-12)11-5-3-4-10(14)8-11/h3-9H,14H2,1-2H3,(H,15,18)
InChIKeyKEIBWANDXBXYTK-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.59
Rot. Bonds3

About 1-(3-aminophenyl)-N-propan-2-ylpyrazole-3-carboxamide

1-(3-aminophenyl)-N-propan-2-ylpyrazole-3-carboxamide (PubChem CID 43475412) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 1-(3-aminophenyl)-N-propan-2-ylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(3-aminophenyl)-N-propan-2-ylpyrazole-3-carboxamide
PubChem CID43475412
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name1-(3-aminophenyl)-N-propan-2-ylpyrazole-3-carboxamide
SMILESCC(C)NC(=O)c1ccn(-c2cccc(N)c2)n1
InChIInChI=1S/C13H16N4O/c1-9(2)15-13(18)12-6-7-17(16-12)11-5-3-4-10(14)8-11/h3-9H,14H2,1-2H3,(H,15,18)
InChIKeyKEIBWANDXBXYTK-UHFFFAOYSA-N
XLogP1.59
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(3-aminophenyl)-N-(1,3-dihydroxypropan-2-yl)pyrazole-3-carboxamide
CID 65310413
1-(3-aminophenyl)-N-(3-hydroxy-2-methylpropyl)pyrazole-3-carboxamide
CID 65032072
1-(3-aminophenyl)-N-propylpyrazole-3-carboxamide
CID 43475405
methoxymethyl 1-(3-aminophenyl)pyrazole-3-carboxylate
CID 65365024
pentan-2-yl 1-(3-aminophenyl)pyrazole-3-carboxylate
CID 102983084
1-(3-aminophenyl)-N-(1H-pyrazol-5-yl)pyrazole-3-carboxamide
CID 61393305
methyl (2S)-2-[(1-phenylpyrazole-3-carbonyl)amino]propanoate
CID 87040358
cyclobutyl 1-(3-aminophenyl)pyrazole-3-carboxylate
CID 62383833
1-(3-aminophenyl)-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide
CID 43475407
1-(3-aminophenyl)-N-(thiadiazol-5-yl)pyrazole-3-carboxamide
CID 114911543
1-[3-(1-aminoethyl)phenyl]-N-methylpyrazole-3-carboxamide
CID 79170438
1-(4-aminophenyl)-N-(3,3-dimethylbutan-2-yl)pyrazole-3-carboxamide
CID 104827235

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-N-propan-2-ylpyrazole-3-carboxamide?
The IUPAC name of 1-(3-aminophenyl)-N-propan-2-ylpyrazole-3-carboxamide (CID 43475412) is 1-(3-aminophenyl)-N-propan-2-ylpyrazole-3-carboxamide.
What is the SMILES notation for 1-(3-aminophenyl)-N-propan-2-ylpyrazole-3-carboxamide?
The canonical SMILES for 1-(3-aminophenyl)-N-propan-2-ylpyrazole-3-carboxamide is CC(C)NC(=O)c1ccn(-c2cccc(N)c2)n1.
What is the InChIKey of 1-(3-aminophenyl)-N-propan-2-ylpyrazole-3-carboxamide?
The InChIKey is KEIBWANDXBXYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-9(2)15-13(18)12-6-7-17(16-12)11-5-3-4-10(14)8-11/h3-9H,14H2,1-2H3,(H,15,18).
What are the key properties of 1-(3-aminophenyl)-N-propan-2-ylpyrazole-3-carboxamide?
1-(3-aminophenyl)-N-propan-2-ylpyrazole-3-carboxamide has a molecular weight of 244.30 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)-N-propan-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 43475412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).