4-amino-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]butanamide

C13H16N4O2 — CID 43706888

IUPAC4-amino-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]butanamide
SMILESNCCCC(=O)Nc1ccc(-c2cc(=O)[nH][nH]2)cc1
InChIInChI=1S/C13H16N4O2/c14-7-1-2-12(18)15-10-5-3-9(4-6-10)11-8-13(19)17-16-11/h3-6,8H,1-2,7,14H2,(H,15,18)(H2,16,17,19)
InChIKeyRQJPIVYGKYICHK-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.05
Rot. Bonds5

About 4-amino-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]butanamide

4-amino-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]butanamide (PubChem CID 43706888) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 4-amino-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]butanamide
PubChem CID43706888
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name4-amino-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]butanamide
SMILESNCCCC(=O)Nc1ccc(-c2cc(=O)[nH][nH]2)cc1
InChIInChI=1S/C13H16N4O2/c14-7-1-2-12(18)15-10-5-3-9(4-6-10)11-8-13(19)17-16-11/h3-6,8H,1-2,7,14H2,(H,15,18)(H2,16,17,19)
InChIKeyRQJPIVYGKYICHK-UHFFFAOYSA-N
XLogP1.05
TPSA103.77 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 4-amino-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]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

4-hydroxy-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]butanamide
CID 79201501
5-amino-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]hexanamide
CID 82850765
5-amino-4-methyl-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]pentanamide
CID 82013599
N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]propanamide
CID 60756455
3-amino-2,2-dimethyl-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]propanamide
CID 115426240
7-amino-N-[4-(1H-pyrazol-5-yl)phenyl]heptanamide
CID 43713256
4-amino-N-(4-aminophenyl)butanamide
CID 90105668
4-amino-N-[4-(carbamoylamino)phenyl]butanamide
CID 43711123
4-amino-N-[4-(propanoylamino)phenyl]butanamide;hydrochloride
CID 119296184
4-amino-N-[4-(methylcarbamoylamino)phenyl]butanamide
CID 43710929
4-amino-N-[4-(sulfamoylmethyl)phenyl]butanamide
CID 43711207
6-amino-N-[4-(carbamoylamino)phenyl]hexanamide
CID 43711108

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]butanamide?
The IUPAC name of 4-amino-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]butanamide (CID 43706888) is 4-amino-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]butanamide.
What is the SMILES notation for 4-amino-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]butanamide?
The canonical SMILES for 4-amino-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]butanamide is NCCCC(=O)Nc1ccc(-c2cc(=O)[nH][nH]2)cc1.
What is the InChIKey of 4-amino-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]butanamide?
The InChIKey is RQJPIVYGKYICHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c14-7-1-2-12(18)15-10-5-3-9(4-6-10)11-8-13(19)17-16-11/h3-6,8H,1-2,7,14H2,(H,15,18)(H2,16,17,19).
What are the key properties of 4-amino-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]butanamide?
4-amino-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]butanamide has a molecular weight of 260.30 g/mol, XLogP of 1.05, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]butanamide is sourced from PubChem (CID 43706888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).