(3R)-N-(3-bromophenyl)-3-pyrazol-1-ylbutanamide

C13H14BrN3O — CID 92708090

IUPAC(3R)-N-(3-bromophenyl)-3-pyrazol-1-ylbutanamide
SMILESC[C@H](CC(=O)Nc1cccc(Br)c1)n1cccn1
InChIInChI=1S/C13H14BrN3O/c1-10(17-7-3-6-15-17)8-13(18)16-12-5-2-4-11(14)9-12/h2-7,9-10H,8H2,1H3,(H,16,18)/t10-/m1/s1
InChIKeyQTKHLUCBJDGBKF-SNVBAGLBSA-N
MW308.18 g/mol
LogP3.24
Rot. Bonds4

About (3R)-N-(3-bromophenyl)-3-pyrazol-1-ylbutanamide

(3R)-N-(3-bromophenyl)-3-pyrazol-1-ylbutanamide (PubChem CID 92708090) has the molecular formula C13H14BrN3O and a molecular weight of 308.18 g/mol. Its IUPAC name is (3R)-N-(3-bromophenyl)-3-pyrazol-1-ylbutanamide.

Molecular Properties

Compound Name(3R)-N-(3-bromophenyl)-3-pyrazol-1-ylbutanamide
PubChem CID92708090
Molecular FormulaC13H14BrN3O
Molecular Weight308.18 g/mol
Exact Mass307.03
IUPAC Name(3R)-N-(3-bromophenyl)-3-pyrazol-1-ylbutanamide
SMILESC[C@H](CC(=O)Nc1cccc(Br)c1)n1cccn1
InChIInChI=1S/C13H14BrN3O/c1-10(17-7-3-6-15-17)8-13(18)16-12-5-2-4-11(14)9-12/h2-7,9-10H,8H2,1H3,(H,16,18)/t10-/m1/s1
InChIKeyQTKHLUCBJDGBKF-SNVBAGLBSA-N
XLogP3.24
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R)-N-(3-bromophenyl)-3-pyrazol-1-ylbutanamide 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

(3R)-N-(3-methylphenyl)-3-pyrazol-1-ylbutanamide
CID 92708082
(3S)-N-phenyl-3-pyrazol-1-ylbutanamide
CID 92708085
(3S)-N-(4-bromo-3-methylphenyl)-3-pyrazol-1-ylbutanamide
CID 92708037
(3S)-N-(3,4-dimethylphenyl)-3-pyrazol-1-ylbutanamide
CID 92708025
(3S)-N-(3,5-dimethylphenyl)-3-pyrazol-1-ylbutanamide
CID 92708031
(3S)-N-(4-chlorophenyl)-3-pyrazol-1-ylbutanamide
CID 92707965
N-(3-bromophenyl)-3-(ethylamino)butanamide
CID 62838058
(3S)-N-(2,3-dimethylphenyl)-3-pyrazol-1-ylbutanamide
CID 92707983
(3R)-N-(2-methylphenyl)-3-pyrazol-1-ylbutanamide
CID 92708012
(3R)-N-(2,4-dimethylphenyl)-3-pyrazol-1-ylbutanamide
CID 92708020
(3R)-3-pyrazol-1-yl-N-[4-(trifluoromethoxy)phenyl]butanamide
CID 92708068
N-(3-bromophenyl)-4-methyl-3-oxopentanamide
CID 134357858

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(3-bromophenyl)-3-pyrazol-1-ylbutanamide?
The IUPAC name of (3R)-N-(3-bromophenyl)-3-pyrazol-1-ylbutanamide (CID 92708090) is (3R)-N-(3-bromophenyl)-3-pyrazol-1-ylbutanamide.
What is the SMILES notation for (3R)-N-(3-bromophenyl)-3-pyrazol-1-ylbutanamide?
The canonical SMILES for (3R)-N-(3-bromophenyl)-3-pyrazol-1-ylbutanamide is C[C@H](CC(=O)Nc1cccc(Br)c1)n1cccn1.
What is the InChIKey of (3R)-N-(3-bromophenyl)-3-pyrazol-1-ylbutanamide?
The InChIKey is QTKHLUCBJDGBKF-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H14BrN3O/c1-10(17-7-3-6-15-17)8-13(18)16-12-5-2-4-11(14)9-12/h2-7,9-10H,8H2,1H3,(H,16,18)/t10-/m1/s1.
What are the key properties of (3R)-N-(3-bromophenyl)-3-pyrazol-1-ylbutanamide?
(3R)-N-(3-bromophenyl)-3-pyrazol-1-ylbutanamide has a molecular weight of 308.18 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(3-bromophenyl)-3-pyrazol-1-ylbutanamide is sourced from PubChem (CID 92708090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).