2-[4-(3-aminophenyl)pyrazol-1-yl]-N-(3-methylbutyl)acetamide

C16H22N4O — CID 63338592

IUPAC2-[4-(3-aminophenyl)pyrazol-1-yl]-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)Cn1cc(-c2cccc(N)c2)cn1
InChIInChI=1S/C16H22N4O/c1-12(2)6-7-18-16(21)11-20-10-14(9-19-20)13-4-3-5-15(17)8-13/h3-5,8-10,12H,6-7,11,17H2,1-2H3,(H,18,21)
InChIKeyUIXGWQCKKZYVKN-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.29
Rot. Bonds6

About 2-[4-(3-aminophenyl)pyrazol-1-yl]-N-(3-methylbutyl)acetamide

2-[4-(3-aminophenyl)pyrazol-1-yl]-N-(3-methylbutyl)acetamide (PubChem CID 63338592) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-[4-(3-aminophenyl)pyrazol-1-yl]-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-[4-(3-aminophenyl)pyrazol-1-yl]-N-(3-methylbutyl)acetamide
PubChem CID63338592
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name2-[4-(3-aminophenyl)pyrazol-1-yl]-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)Cn1cc(-c2cccc(N)c2)cn1
InChIInChI=1S/C16H22N4O/c1-12(2)6-7-18-16(21)11-20-10-14(9-19-20)13-4-3-5-15(17)8-13/h3-5,8-10,12H,6-7,11,17H2,1-2H3,(H,18,21)
InChIKeyUIXGWQCKKZYVKN-UHFFFAOYSA-N
XLogP2.29
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(3-aminophenyl)pyrazol-1-yl]-N-cyclopropylacetamide
CID 63338058
1-[2-(3-methylbutylamino)-2-oxoethyl]pyrazole-4-carboxylic acid
CID 19622293
methyl 4-[4-(3-aminophenyl)pyrazol-1-yl]butanoate
CID 63338020
4-amino-1-[2-(3-methylbutylamino)-2-oxoethyl]pyrazole-3-carboxylic acid
CID 107344279
3-[4-(3-aminophenyl)pyrazol-1-yl]-N-cyclopropylpropanamide
CID 63338279
6-[4-(3-aminophenyl)pyrazol-1-yl]hexan-1-ol
CID 107703748
2-[4-(3-bromophenyl)pyrazol-1-yl]-N-[(2R)-butan-2-yl]acetamide
CID 100830551
ethyl 2-[4-(3-propan-2-ylphenyl)pyrazol-1-yl]acetate
CID 123549077
2-(4-aminopyrazol-1-yl)-N-(2-methylpropyl)acetamide
CID 43185729
2-(3-amino-N-methylanilino)-N-(3-methylbutyl)propanamide
CID 61295832
3-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]aniline
CID 63338103
N-[2-(4-aminopyrazol-1-yl)ethyl]-4-methylpentanamide
CID 115319745

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-aminophenyl)pyrazol-1-yl]-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-[4-(3-aminophenyl)pyrazol-1-yl]-N-(3-methylbutyl)acetamide (CID 63338592) is 2-[4-(3-aminophenyl)pyrazol-1-yl]-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-[4-(3-aminophenyl)pyrazol-1-yl]-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-[4-(3-aminophenyl)pyrazol-1-yl]-N-(3-methylbutyl)acetamide is CC(C)CCNC(=O)Cn1cc(-c2cccc(N)c2)cn1.
What is the InChIKey of 2-[4-(3-aminophenyl)pyrazol-1-yl]-N-(3-methylbutyl)acetamide?
The InChIKey is UIXGWQCKKZYVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-12(2)6-7-18-16(21)11-20-10-14(9-19-20)13-4-3-5-15(17)8-13/h3-5,8-10,12H,6-7,11,17H2,1-2H3,(H,18,21).
What are the key properties of 2-[4-(3-aminophenyl)pyrazol-1-yl]-N-(3-methylbutyl)acetamide?
2-[4-(3-aminophenyl)pyrazol-1-yl]-N-(3-methylbutyl)acetamide has a molecular weight of 286.38 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-aminophenyl)pyrazol-1-yl]-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 63338592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).