3-chloro-2-methyl-N-(4-pyrazol-1-ylphenyl)propanamide

C13H14ClN3O — CID 62726808

IUPAC3-chloro-2-methyl-N-(4-pyrazol-1-ylphenyl)propanamide
SMILESCC(CCl)C(=O)Nc1ccc(-n2cccn2)cc1
InChIInChI=1S/C13H14ClN3O/c1-10(9-14)13(18)16-11-3-5-12(6-4-11)17-8-2-7-15-17/h2-8,10H,9H2,1H3,(H,16,18)
InChIKeyJIHBFKRGHYUBAY-UHFFFAOYSA-N
MW263.73 g/mol
LogP2.69
Rot. Bonds4

About 3-chloro-2-methyl-N-(4-pyrazol-1-ylphenyl)propanamide

3-chloro-2-methyl-N-(4-pyrazol-1-ylphenyl)propanamide (PubChem CID 62726808) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is 3-chloro-2-methyl-N-(4-pyrazol-1-ylphenyl)propanamide.

Molecular Properties

Compound Name3-chloro-2-methyl-N-(4-pyrazol-1-ylphenyl)propanamide
PubChem CID62726808
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name3-chloro-2-methyl-N-(4-pyrazol-1-ylphenyl)propanamide
SMILESCC(CCl)C(=O)Nc1ccc(-n2cccn2)cc1
InChIInChI=1S/C13H14ClN3O/c1-10(9-14)13(18)16-11-3-5-12(6-4-11)17-8-2-7-15-17/h2-8,10H,9H2,1H3,(H,16,18)
InChIKeyJIHBFKRGHYUBAY-UHFFFAOYSA-N
XLogP2.69
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-3-(methylamino)-N-(4-pyrazol-1-ylphenyl)propanamide;hydrochloride
CID 119702362
3-amino-2-methyl-N-(4-pyrazol-1-ylphenyl)propanamide
CID 62671376
2-chloro-N-(4-pyrazol-1-ylphenyl)propanamide
CID 43697897
(2R)-2-amino-N-(4-pyrazol-1-ylphenyl)propanamide
CID 78971911
(2S,3S)-2-amino-3-methyl-N-(4-pyrazol-1-ylphenyl)pentanamide
CID 61180755
(2R)-3-(4-chloropyrazol-1-yl)-2-methyl-N-(4-pyrazol-1-ylphenyl)propanamide
CID 35535310
2-amino-N-(4-pyrazol-1-ylphenyl)pentanamide
CID 43704133
1-propan-2-yl-3-(4-pyrazol-1-ylphenyl)urea
CID 110748862
(2S)-2-amino-3,3-dimethyl-N-(4-pyrazol-1-ylphenyl)butanamide
CID 61177988
3-amino-4-oxo-4-(4-pyrazol-1-ylanilino)butanoic acid
CID 64895291
3-chloro-2-methyl-N-[4-(2-methylpropanoylamino)phenyl]propanamide
CID 55111079
[1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl] 4-pyrazol-1-ylbenzoate
CID 43026852

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-N-(4-pyrazol-1-ylphenyl)propanamide?
The IUPAC name of 3-chloro-2-methyl-N-(4-pyrazol-1-ylphenyl)propanamide (CID 62726808) is 3-chloro-2-methyl-N-(4-pyrazol-1-ylphenyl)propanamide.
What is the SMILES notation for 3-chloro-2-methyl-N-(4-pyrazol-1-ylphenyl)propanamide?
The canonical SMILES for 3-chloro-2-methyl-N-(4-pyrazol-1-ylphenyl)propanamide is CC(CCl)C(=O)Nc1ccc(-n2cccn2)cc1.
What is the InChIKey of 3-chloro-2-methyl-N-(4-pyrazol-1-ylphenyl)propanamide?
The InChIKey is JIHBFKRGHYUBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c1-10(9-14)13(18)16-11-3-5-12(6-4-11)17-8-2-7-15-17/h2-8,10H,9H2,1H3,(H,16,18).
What are the key properties of 3-chloro-2-methyl-N-(4-pyrazol-1-ylphenyl)propanamide?
3-chloro-2-methyl-N-(4-pyrazol-1-ylphenyl)propanamide has a molecular weight of 263.73 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-N-(4-pyrazol-1-ylphenyl)propanamide is sourced from PubChem (CID 62726808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).