1-(3-aminophenyl)-N-(1,3-dihydroxypropan-2-yl)pyrazole-3-carboxamide

C13H16N4O3 — CID 65310413

IUPAC1-(3-aminophenyl)-N-(1,3-dihydroxypropan-2-yl)pyrazole-3-carboxamide
SMILESNc1cccc(-n2ccc(C(=O)NC(CO)CO)n2)c1
InChIInChI=1S/C13H16N4O3/c14-9-2-1-3-11(6-9)17-5-4-12(16-17)13(20)15-10(7-18)8-19/h1-6,10,18-19H,7-8,14H2,(H,15,20)
InChIKeyGTXYZZKXHGVZCG-UHFFFAOYSA-N
MW276.30 g/mol
LogP-0.46
Rot. Bonds5

About 1-(3-aminophenyl)-N-(1,3-dihydroxypropan-2-yl)pyrazole-3-carboxamide

1-(3-aminophenyl)-N-(1,3-dihydroxypropan-2-yl)pyrazole-3-carboxamide (PubChem CID 65310413) has the molecular formula C13H16N4O3 and a molecular weight of 276.30 g/mol. Its IUPAC name is 1-(3-aminophenyl)-N-(1,3-dihydroxypropan-2-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(3-aminophenyl)-N-(1,3-dihydroxypropan-2-yl)pyrazole-3-carboxamide
PubChem CID65310413
Molecular FormulaC13H16N4O3
Molecular Weight276.30 g/mol
Exact Mass276.12
IUPAC Name1-(3-aminophenyl)-N-(1,3-dihydroxypropan-2-yl)pyrazole-3-carboxamide
SMILESNc1cccc(-n2ccc(C(=O)NC(CO)CO)n2)c1
InChIInChI=1S/C13H16N4O3/c14-9-2-1-3-11(6-9)17-5-4-12(16-17)13(20)15-10(7-18)8-19/h1-6,10,18-19H,7-8,14H2,(H,15,20)
InChIKeyGTXYZZKXHGVZCG-UHFFFAOYSA-N
XLogP-0.46
TPSA113.40 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 5-0.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(3-aminophenyl)-N-propan-2-ylpyrazole-3-carboxamide
CID 43475412
1-(3-aminophenyl)-N-(3-hydroxy-2-methylpropyl)pyrazole-3-carboxamide
CID 65032072
1-(3-aminophenyl)-N-propylpyrazole-3-carboxamide
CID 43475405
N-(1-hydroxybutan-2-yl)-1-phenylpyrazole-3-carboxamide
CID 43428002
methoxymethyl 1-(3-aminophenyl)pyrazole-3-carboxylate
CID 65365024
1-(3-aminophenyl)-N-(1H-pyrazol-5-yl)pyrazole-3-carboxamide
CID 61393305
1-(3-aminophenyl)-N-(thiadiazol-5-yl)pyrazole-3-carboxamide
CID 114911543
1-(3-aminophenyl)-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide
CID 43475407
1-(2-aminophenyl)-N-(1-hydroxybutan-2-yl)pyrazole-3-carboxamide
CID 43498480
cyclopropylmethoxymethyl 1-(3-aminophenyl)pyrazole-3-carboxylate
CID 106930469
N-(1,3-dihydroxypropan-2-yl)-1-methylpyrazole-3-carboxamide
CID 104580688
pentan-2-yl 1-(3-aminophenyl)pyrazole-3-carboxylate
CID 102983084

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-N-(1,3-dihydroxypropan-2-yl)pyrazole-3-carboxamide?
The IUPAC name of 1-(3-aminophenyl)-N-(1,3-dihydroxypropan-2-yl)pyrazole-3-carboxamide (CID 65310413) is 1-(3-aminophenyl)-N-(1,3-dihydroxypropan-2-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(3-aminophenyl)-N-(1,3-dihydroxypropan-2-yl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(3-aminophenyl)-N-(1,3-dihydroxypropan-2-yl)pyrazole-3-carboxamide is Nc1cccc(-n2ccc(C(=O)NC(CO)CO)n2)c1.
What is the InChIKey of 1-(3-aminophenyl)-N-(1,3-dihydroxypropan-2-yl)pyrazole-3-carboxamide?
The InChIKey is GTXYZZKXHGVZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3/c14-9-2-1-3-11(6-9)17-5-4-12(16-17)13(20)15-10(7-18)8-19/h1-6,10,18-19H,7-8,14H2,(H,15,20).
What are the key properties of 1-(3-aminophenyl)-N-(1,3-dihydroxypropan-2-yl)pyrazole-3-carboxamide?
1-(3-aminophenyl)-N-(1,3-dihydroxypropan-2-yl)pyrazole-3-carboxamide has a molecular weight of 276.30 g/mol, XLogP of -0.46, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)-N-(1,3-dihydroxypropan-2-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 65310413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).