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

C15H20N4O2 — CID 79379901

IUPAC1-(2-aminophenyl)-N-(2-hydroxy-2-methylpropyl)-N-methylpyrazole-3-carboxamide
SMILESCN(CC(C)(C)O)C(=O)c1ccn(-c2ccccc2N)n1
InChIInChI=1S/C15H20N4O2/c1-15(2,21)10-18(3)14(20)12-8-9-19(17-12)13-7-5-4-6-11(13)16/h4-9,21H,10,16H2,1-3H3
InChIKeyFIYLNKDHRSWVIR-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.30
Rot. Bonds4

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

1-(2-aminophenyl)-N-(2-hydroxy-2-methylpropyl)-N-methylpyrazole-3-carboxamide (PubChem CID 79379901) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-(2-aminophenyl)-N-(2-hydroxy-2-methylpropyl)-N-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2-aminophenyl)-N-(2-hydroxy-2-methylpropyl)-N-methylpyrazole-3-carboxamide
PubChem CID79379901
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name1-(2-aminophenyl)-N-(2-hydroxy-2-methylpropyl)-N-methylpyrazole-3-carboxamide
SMILESCN(CC(C)(C)O)C(=O)c1ccn(-c2ccccc2N)n1
InChIInChI=1S/C15H20N4O2/c1-15(2,21)10-18(3)14(20)12-8-9-19(17-12)13-7-5-4-6-11(13)16/h4-9,21H,10,16H2,1-3H3
InChIKeyFIYLNKDHRSWVIR-UHFFFAOYSA-N
XLogP1.30
TPSA84.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2-aminophenyl)-N-ethyl-N-methylpyrazole-3-carboxamide
CID 43475556
1-(2-aminophenyl)-N-(2-ethoxyethyl)-N-methylpyrazole-3-carboxamide
CID 81037219
1-(2-aminophenyl)-N-methyl-N-pentan-3-ylpyrazole-3-carboxamide
CID 43570572
1-(2-aminophenyl)-N-methyl-N-(3-methylbutan-2-yl)pyrazole-3-carboxamide
CID 43569580
1-(2-aminophenyl)-N-(3-methylpentan-3-yl)pyrazole-3-carboxamide
CID 106327801
N-(2-hydroxy-2-methylpropyl)-N,1-dimethylpyrazole-3-carboxamide
CID 103726489
1-(2-aminophenyl)pyrazole-3-carboxamide
CID 43475524
1-(2-aminophenyl)-N-methyl-N-(oxolan-3-yl)pyrazole-3-carboxamide
CID 82733530
1-(2-aminophenyl)-N-methyl-N-(thiolan-3-yl)pyrazole-3-carboxamide
CID 43475571
1-(2-aminophenyl)-N-(2-methyl-3-methylsulfanylpropyl)pyrazole-3-carboxamide
CID 63983474
1-(2-aminophenyl)-N-(1-hydroxybutan-2-yl)pyrazole-3-carboxamide
CID 43498480
1-(2-ethylphenyl)-4-hydroxy-N-(2-hydroxy-2-methylpropyl)-N-methylpyrazole-3-carboxamide
CID 111969959

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminophenyl)-N-(2-hydroxy-2-methylpropyl)-N-methylpyrazole-3-carboxamide?
The IUPAC name of 1-(2-aminophenyl)-N-(2-hydroxy-2-methylpropyl)-N-methylpyrazole-3-carboxamide (CID 79379901) is 1-(2-aminophenyl)-N-(2-hydroxy-2-methylpropyl)-N-methylpyrazole-3-carboxamide.
What is the SMILES notation for 1-(2-aminophenyl)-N-(2-hydroxy-2-methylpropyl)-N-methylpyrazole-3-carboxamide?
The canonical SMILES for 1-(2-aminophenyl)-N-(2-hydroxy-2-methylpropyl)-N-methylpyrazole-3-carboxamide is CN(CC(C)(C)O)C(=O)c1ccn(-c2ccccc2N)n1.
What is the InChIKey of 1-(2-aminophenyl)-N-(2-hydroxy-2-methylpropyl)-N-methylpyrazole-3-carboxamide?
The InChIKey is FIYLNKDHRSWVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-15(2,21)10-18(3)14(20)12-8-9-19(17-12)13-7-5-4-6-11(13)16/h4-9,21H,10,16H2,1-3H3.
What are the key properties of 1-(2-aminophenyl)-N-(2-hydroxy-2-methylpropyl)-N-methylpyrazole-3-carboxamide?
1-(2-aminophenyl)-N-(2-hydroxy-2-methylpropyl)-N-methylpyrazole-3-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminophenyl)-N-(2-hydroxy-2-methylpropyl)-N-methylpyrazole-3-carboxamide is sourced from PubChem (CID 79379901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).