3-amino-N-(3-chloro-2-pyrazol-1-ylphenyl)butanamide

C13H15ClN4O — CID 54862473

IUPAC3-amino-N-(3-chloro-2-pyrazol-1-ylphenyl)butanamide
SMILESCC(N)CC(=O)Nc1cccc(Cl)c1-n1cccn1
InChIInChI=1S/C13H15ClN4O/c1-9(15)8-12(19)17-11-5-2-4-10(14)13(11)18-7-3-6-16-18/h2-7,9H,8,15H2,1H3,(H,17,19)
InChIKeyCSJFWAIVAIWVAP-UHFFFAOYSA-N
MW278.74 g/mol
LogP2.20
Rot. Bonds4

About 3-amino-N-(3-chloro-2-pyrazol-1-ylphenyl)butanamide

3-amino-N-(3-chloro-2-pyrazol-1-ylphenyl)butanamide (PubChem CID 54862473) has the molecular formula C13H15ClN4O and a molecular weight of 278.74 g/mol. Its IUPAC name is 3-amino-N-(3-chloro-2-pyrazol-1-ylphenyl)butanamide.

Molecular Properties

Compound Name3-amino-N-(3-chloro-2-pyrazol-1-ylphenyl)butanamide
PubChem CID54862473
Molecular FormulaC13H15ClN4O
Molecular Weight278.74 g/mol
Exact Mass278.09
IUPAC Name3-amino-N-(3-chloro-2-pyrazol-1-ylphenyl)butanamide
SMILESCC(N)CC(=O)Nc1cccc(Cl)c1-n1cccn1
InChIInChI=1S/C13H15ClN4O/c1-9(15)8-12(19)17-11-5-2-4-10(14)13(11)18-7-3-6-16-18/h2-7,9H,8,15H2,1H3,(H,17,19)
InChIKeyCSJFWAIVAIWVAP-UHFFFAOYSA-N
XLogP2.20
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-N-(3-chloro-2-pyrazol-1-ylphenyl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-N-(2-pyrazol-1-ylphenyl)butanamide
CID 60837811
(2R)-2-amino-N-(3-chloro-2-pyrazol-1-ylphenyl)-3,3-dimethylbutanamide
CID 103929017
2-[2-(3-chloro-2-pyrazol-1-ylanilino)-2-oxoethyl]sulfanylacetic acid
CID 104569144
5-chloro-N-(3-chloro-2-pyrazol-1-ylphenyl)pentanamide
CID 60933767
5-amino-N-(3-chloro-2-pyrazol-1-ylphenyl)-2-methylpentanamide
CID 104684217
(2S)-2-amino-N-(3-chloro-2-pyrazol-1-ylphenyl)hexanamide
CID 107144309
(2S)-2-amino-N-(3-chloro-2-pyrazol-1-ylphenyl)-4-methylsulfanylbutanamide
CID 61179964
N-(3-chloro-2-pyrazol-1-ylphenyl)cyclopropanecarboxamide
CID 47251954
N-(3-chloro-2-pyrazol-1-ylphenyl)prop-2-enamide
CID 54867440
N-(3-chloro-2-pyrazol-1-ylphenyl)-3-(4-methylphenyl)sulfonylpropanamide
CID 78891540
N-(3-chloro-2-pyrazol-1-ylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 87007040
N-(3-chloro-2-pyrazol-1-ylphenyl)-N'-(1-pyridin-4-ylethyl)oxamide
CID 87039371

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-chloro-2-pyrazol-1-ylphenyl)butanamide?
The IUPAC name of 3-amino-N-(3-chloro-2-pyrazol-1-ylphenyl)butanamide (CID 54862473) is 3-amino-N-(3-chloro-2-pyrazol-1-ylphenyl)butanamide.
What is the SMILES notation for 3-amino-N-(3-chloro-2-pyrazol-1-ylphenyl)butanamide?
The canonical SMILES for 3-amino-N-(3-chloro-2-pyrazol-1-ylphenyl)butanamide is CC(N)CC(=O)Nc1cccc(Cl)c1-n1cccn1.
What is the InChIKey of 3-amino-N-(3-chloro-2-pyrazol-1-ylphenyl)butanamide?
The InChIKey is CSJFWAIVAIWVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O/c1-9(15)8-12(19)17-11-5-2-4-10(14)13(11)18-7-3-6-16-18/h2-7,9H,8,15H2,1H3,(H,17,19).
What are the key properties of 3-amino-N-(3-chloro-2-pyrazol-1-ylphenyl)butanamide?
3-amino-N-(3-chloro-2-pyrazol-1-ylphenyl)butanamide has a molecular weight of 278.74 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-chloro-2-pyrazol-1-ylphenyl)butanamide is sourced from PubChem (CID 54862473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).