1-(2-aminophenyl)-N-methyl-N-(3-methylbutan-2-yl)pyrazole-3-carboxamide

C16H22N4O — CID 43569580

IUPAC1-(2-aminophenyl)-N-methyl-N-(3-methylbutan-2-yl)pyrazole-3-carboxamide
SMILESCC(C)C(C)N(C)C(=O)c1ccn(-c2ccccc2N)n1
InChIInChI=1S/C16H22N4O/c1-11(2)12(3)19(4)16(21)14-9-10-20(18-14)15-8-6-5-7-13(15)17/h5-12H,17H2,1-4H3
InChIKeyXGGMJJOLOFSZRR-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.57
Rot. Bonds4

About 1-(2-aminophenyl)-N-methyl-N-(3-methylbutan-2-yl)pyrazole-3-carboxamide

1-(2-aminophenyl)-N-methyl-N-(3-methylbutan-2-yl)pyrazole-3-carboxamide (PubChem CID 43569580) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-(2-aminophenyl)-N-methyl-N-(3-methylbutan-2-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2-aminophenyl)-N-methyl-N-(3-methylbutan-2-yl)pyrazole-3-carboxamide
PubChem CID43569580
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name1-(2-aminophenyl)-N-methyl-N-(3-methylbutan-2-yl)pyrazole-3-carboxamide
SMILESCC(C)C(C)N(C)C(=O)c1ccn(-c2ccccc2N)n1
InChIInChI=1S/C16H22N4O/c1-11(2)12(3)19(4)16(21)14-9-10-20(18-14)15-8-6-5-7-13(15)17/h5-12H,17H2,1-4H3
InChIKeyXGGMJJOLOFSZRR-UHFFFAOYSA-N
XLogP2.57
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminophenyl)-N-methyl-N-(3-methylbutan-2-yl)pyrazole-3-carboxamide?
The IUPAC name of 1-(2-aminophenyl)-N-methyl-N-(3-methylbutan-2-yl)pyrazole-3-carboxamide (CID 43569580) is 1-(2-aminophenyl)-N-methyl-N-(3-methylbutan-2-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(2-aminophenyl)-N-methyl-N-(3-methylbutan-2-yl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(2-aminophenyl)-N-methyl-N-(3-methylbutan-2-yl)pyrazole-3-carboxamide is CC(C)C(C)N(C)C(=O)c1ccn(-c2ccccc2N)n1.
What is the InChIKey of 1-(2-aminophenyl)-N-methyl-N-(3-methylbutan-2-yl)pyrazole-3-carboxamide?
The InChIKey is XGGMJJOLOFSZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-11(2)12(3)19(4)16(21)14-9-10-20(18-14)15-8-6-5-7-13(15)17/h5-12H,17H2,1-4H3.
What are the key properties of 1-(2-aminophenyl)-N-methyl-N-(3-methylbutan-2-yl)pyrazole-3-carboxamide?
1-(2-aminophenyl)-N-methyl-N-(3-methylbutan-2-yl)pyrazole-3-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminophenyl)-N-methyl-N-(3-methylbutan-2-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 43569580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).