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

C12H12ClN3O — CID 43697897

IUPAC2-chloro-N-(4-pyrazol-1-ylphenyl)propanamide
SMILESCC(Cl)C(=O)Nc1ccc(-n2cccn2)cc1
InChIInChI=1S/C12H12ClN3O/c1-9(13)12(17)15-10-3-5-11(6-4-10)16-8-2-7-14-16/h2-9H,1H3,(H,15,17)
InChIKeySZNCHVCJATUNSW-UHFFFAOYSA-N
MW249.70 g/mol
LogP2.44
Rot. Bonds3

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

2-chloro-N-(4-pyrazol-1-ylphenyl)propanamide (PubChem CID 43697897) has the molecular formula C12H12ClN3O and a molecular weight of 249.70 g/mol. Its IUPAC name is 2-chloro-N-(4-pyrazol-1-ylphenyl)propanamide.

Molecular Properties

Compound Name2-chloro-N-(4-pyrazol-1-ylphenyl)propanamide
PubChem CID43697897
Molecular FormulaC12H12ClN3O
Molecular Weight249.70 g/mol
Exact Mass249.07
IUPAC Name2-chloro-N-(4-pyrazol-1-ylphenyl)propanamide
SMILESCC(Cl)C(=O)Nc1ccc(-n2cccn2)cc1
InChIInChI=1S/C12H12ClN3O/c1-9(13)12(17)15-10-3-5-11(6-4-10)16-8-2-7-14-16/h2-9H,1H3,(H,15,17)
InChIKeySZNCHVCJATUNSW-UHFFFAOYSA-N
XLogP2.44
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 52.44
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

(2R)-2-amino-N-(4-pyrazol-1-ylphenyl)propanamide
CID 78971911
3-chloro-2-methyl-N-(4-pyrazol-1-ylphenyl)propanamide
CID 62726808
3-amino-2-methyl-N-(4-pyrazol-1-ylphenyl)propanamide
CID 62671376
2-methyl-3-(methylamino)-N-(4-pyrazol-1-ylphenyl)propanamide;hydrochloride
CID 119702362
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
(2S,3S)-2-amino-3-methyl-N-(4-pyrazol-1-ylphenyl)pentanamide
CID 61180755
2-amino-N-(4-pyrazol-1-ylphenyl)pentanamide
CID 43704133
2-(3,5-dichlorophenyl)-2-hydroxy-N-(4-pyrazol-1-ylphenyl)acetamide
CID 167744959
(2R)-3-(4-chloropyrazol-1-yl)-2-methyl-N-(4-pyrazol-1-ylphenyl)propanamide
CID 35535310
3-amino-4-oxo-4-(4-pyrazol-1-ylanilino)butanoic acid
CID 64895291
[1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl] 4-pyrazol-1-ylbenzoate
CID 43026852

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-pyrazol-1-ylphenyl)propanamide?
The IUPAC name of 2-chloro-N-(4-pyrazol-1-ylphenyl)propanamide (CID 43697897) is 2-chloro-N-(4-pyrazol-1-ylphenyl)propanamide.
What is the SMILES notation for 2-chloro-N-(4-pyrazol-1-ylphenyl)propanamide?
The canonical SMILES for 2-chloro-N-(4-pyrazol-1-ylphenyl)propanamide is CC(Cl)C(=O)Nc1ccc(-n2cccn2)cc1.
What is the InChIKey of 2-chloro-N-(4-pyrazol-1-ylphenyl)propanamide?
The InChIKey is SZNCHVCJATUNSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O/c1-9(13)12(17)15-10-3-5-11(6-4-10)16-8-2-7-14-16/h2-9H,1H3,(H,15,17).
What are the key properties of 2-chloro-N-(4-pyrazol-1-ylphenyl)propanamide?
2-chloro-N-(4-pyrazol-1-ylphenyl)propanamide has a molecular weight of 249.70 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-pyrazol-1-ylphenyl)propanamide is sourced from PubChem (CID 43697897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).