1-(4-aminophenyl)-N-(2-methylbutyl)pyrazole-3-carboxamide

C15H20N4O — CID 62700733

IUPAC1-(4-aminophenyl)-N-(2-methylbutyl)pyrazole-3-carboxamide
SMILESCCC(C)CNC(=O)c1ccn(-c2ccc(N)cc2)n1
InChIInChI=1S/C15H20N4O/c1-3-11(2)10-17-15(20)14-8-9-19(18-14)13-6-4-12(16)5-7-13/h4-9,11H,3,10,16H2,1-2H3,(H,17,20)
InChIKeyKVZLNBXGXIZUBU-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.23
Rot. Bonds5

About 1-(4-aminophenyl)-N-(2-methylbutyl)pyrazole-3-carboxamide

1-(4-aminophenyl)-N-(2-methylbutyl)pyrazole-3-carboxamide (PubChem CID 62700733) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-(4-aminophenyl)-N-(2-methylbutyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-aminophenyl)-N-(2-methylbutyl)pyrazole-3-carboxamide
PubChem CID62700733
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name1-(4-aminophenyl)-N-(2-methylbutyl)pyrazole-3-carboxamide
SMILESCCC(C)CNC(=O)c1ccn(-c2ccc(N)cc2)n1
InChIInChI=1S/C15H20N4O/c1-3-11(2)10-17-15(20)14-8-9-19(18-14)13-6-4-12(16)5-7-13/h4-9,11H,3,10,16H2,1-2H3,(H,17,20)
InChIKeyKVZLNBXGXIZUBU-UHFFFAOYSA-N
XLogP2.23
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(4-aminophenyl)-N-(3-methylbutyl)pyrazole-3-carboxamide
CID 43475362
1-(3-aminophenyl)-N-(3-hydroxy-2-methylpropyl)pyrazole-3-carboxamide
CID 65032072
1-(4-aminophenyl)-N-(3,3-dimethylbutan-2-yl)pyrazole-3-carboxamide
CID 104827235
1-(4-aminophenyl)-N-(3-methylpentan-3-yl)pyrazole-3-carboxamide
CID 106327787
1-(4-aminophenyl)-N-(3-methylsulfanylpropyl)pyrazole-3-carboxamide
CID 63981332
4-amino-N-(2-methylbutyl)benzamide
CID 22242294
1-(4-aminophenyl)-N-but-3-yn-2-ylpyrazole-3-carboxamide
CID 114414651
1-(4-aminophenyl)-N,N-bis(2-hydroxyethyl)pyrazole-3-carboxamide
CID 61115162
N-(2-amino-2-oxoethyl)-1-(4-aminophenyl)-N-ethylpyrazole-3-carboxamide
CID 103100909
1-(4-aminophenyl)-N-hex-1-yn-3-ylpyrazole-3-carboxamide
CID 106223477
(1-amino-1-oxobutan-2-yl) 1-(4-aminophenyl)pyrazole-3-carboxylate
CID 62899699
1-(4-aminophenyl)pyrazole-3-carboxamide
CID 25247604

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-N-(2-methylbutyl)pyrazole-3-carboxamide?
The IUPAC name of 1-(4-aminophenyl)-N-(2-methylbutyl)pyrazole-3-carboxamide (CID 62700733) is 1-(4-aminophenyl)-N-(2-methylbutyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(4-aminophenyl)-N-(2-methylbutyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(4-aminophenyl)-N-(2-methylbutyl)pyrazole-3-carboxamide is CCC(C)CNC(=O)c1ccn(-c2ccc(N)cc2)n1.
What is the InChIKey of 1-(4-aminophenyl)-N-(2-methylbutyl)pyrazole-3-carboxamide?
The InChIKey is KVZLNBXGXIZUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-3-11(2)10-17-15(20)14-8-9-19(18-14)13-6-4-12(16)5-7-13/h4-9,11H,3,10,16H2,1-2H3,(H,17,20).
What are the key properties of 1-(4-aminophenyl)-N-(2-methylbutyl)pyrazole-3-carboxamide?
1-(4-aminophenyl)-N-(2-methylbutyl)pyrazole-3-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-N-(2-methylbutyl)pyrazole-3-carboxamide is sourced from PubChem (CID 62700733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).