1-(3-aminophenyl)-N-(3-hydroxy-2-methylpropyl)pyrazole-3-carboxamide

C14H18N4O2 — CID 65032072

IUPAC1-(3-aminophenyl)-N-(3-hydroxy-2-methylpropyl)pyrazole-3-carboxamide
SMILESCC(CO)CNC(=O)c1ccn(-c2cccc(N)c2)n1
InChIInChI=1S/C14H18N4O2/c1-10(9-19)8-16-14(20)13-5-6-18(17-13)12-4-2-3-11(15)7-12/h2-7,10,19H,8-9,15H2,1H3,(H,16,20)
InChIKeyXKFQKBAMZHTJPU-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.81
Rot. Bonds5

About 1-(3-aminophenyl)-N-(3-hydroxy-2-methylpropyl)pyrazole-3-carboxamide

1-(3-aminophenyl)-N-(3-hydroxy-2-methylpropyl)pyrazole-3-carboxamide (PubChem CID 65032072) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-(3-aminophenyl)-N-(3-hydroxy-2-methylpropyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(3-aminophenyl)-N-(3-hydroxy-2-methylpropyl)pyrazole-3-carboxamide
PubChem CID65032072
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name1-(3-aminophenyl)-N-(3-hydroxy-2-methylpropyl)pyrazole-3-carboxamide
SMILESCC(CO)CNC(=O)c1ccn(-c2cccc(N)c2)n1
InChIInChI=1S/C14H18N4O2/c1-10(9-19)8-16-14(20)13-5-6-18(17-13)12-4-2-3-11(15)7-12/h2-7,10,19H,8-9,15H2,1H3,(H,16,20)
InChIKeyXKFQKBAMZHTJPU-UHFFFAOYSA-N
XLogP0.81
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(3-aminophenyl)-N-propylpyrazole-3-carboxamide
CID 43475405
1-(3-aminophenyl)-N-(1,3-dihydroxypropan-2-yl)pyrazole-3-carboxamide
CID 65310413
1-(3-aminophenyl)-N-propan-2-ylpyrazole-3-carboxamide
CID 43475412
1-(4-aminophenyl)-N-(2-methylbutyl)pyrazole-3-carboxamide
CID 62700733
3-amino-N-(3-hydroxy-2-methylpropyl)benzamide
CID 65032070
methoxymethyl 1-(3-aminophenyl)pyrazole-3-carboxylate
CID 65365024
1-(4-aminophenyl)-N-(3-methylbutyl)pyrazole-3-carboxamide
CID 43475362
pentan-2-yl 1-(3-aminophenyl)pyrazole-3-carboxylate
CID 102983084
1-(3-aminophenyl)-N-(1H-pyrazol-5-yl)pyrazole-3-carboxamide
CID 61393305
N-(3-aminobutyl)-1-(3-bromophenyl)pyrazole-3-carboxamide;hydrochloride
CID 119499693
1-(2-aminophenyl)-N-(2-methyl-3-methylsulfanylpropyl)pyrazole-3-carboxamide
CID 63983474
1-(3-aminophenyl)-N-(thiadiazol-5-yl)pyrazole-3-carboxamide
CID 114911543

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-N-(3-hydroxy-2-methylpropyl)pyrazole-3-carboxamide?
The IUPAC name of 1-(3-aminophenyl)-N-(3-hydroxy-2-methylpropyl)pyrazole-3-carboxamide (CID 65032072) is 1-(3-aminophenyl)-N-(3-hydroxy-2-methylpropyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(3-aminophenyl)-N-(3-hydroxy-2-methylpropyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(3-aminophenyl)-N-(3-hydroxy-2-methylpropyl)pyrazole-3-carboxamide is CC(CO)CNC(=O)c1ccn(-c2cccc(N)c2)n1.
What is the InChIKey of 1-(3-aminophenyl)-N-(3-hydroxy-2-methylpropyl)pyrazole-3-carboxamide?
The InChIKey is XKFQKBAMZHTJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-10(9-19)8-16-14(20)13-5-6-18(17-13)12-4-2-3-11(15)7-12/h2-7,10,19H,8-9,15H2,1H3,(H,16,20).
What are the key properties of 1-(3-aminophenyl)-N-(3-hydroxy-2-methylpropyl)pyrazole-3-carboxamide?
1-(3-aminophenyl)-N-(3-hydroxy-2-methylpropyl)pyrazole-3-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 0.81, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)-N-(3-hydroxy-2-methylpropyl)pyrazole-3-carboxamide is sourced from PubChem (CID 65032072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).