3-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]propanamide

C12H12ClN3O — CID 142636925

IUPAC3-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]propanamide
SMILESNC(=O)CCc1cc(-c2ccc(Cl)cc2)n[nH]1
InChIInChI=1S/C12H12ClN3O/c13-9-3-1-8(2-4-9)11-7-10(15-16-11)5-6-12(14)17/h1-4,7H,5-6H2,(H2,14,17)(H,15,16)
InChIKeyVQYRQUABGBIXKZ-UHFFFAOYSA-N
MW249.70 g/mol
LogP2.15
Rot. Bonds4

About 3-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]propanamide

3-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]propanamide (PubChem CID 142636925) has the molecular formula C12H12ClN3O and a molecular weight of 249.70 g/mol. Its IUPAC name is 3-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]propanamide.

Molecular Properties

Compound Name3-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]propanamide
PubChem CID142636925
Molecular FormulaC12H12ClN3O
Molecular Weight249.70 g/mol
Exact Mass249.07
IUPAC Name3-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]propanamide
SMILESNC(=O)CCc1cc(-c2ccc(Cl)cc2)n[nH]1
InChIInChI=1S/C12H12ClN3O/c13-9-3-1-8(2-4-9)11-7-10(15-16-11)5-6-12(14)17/h1-4,7H,5-6H2,(H2,14,17)(H,15,16)
InChIKeyVQYRQUABGBIXKZ-UHFFFAOYSA-N
XLogP2.15
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-chlorophenyl)-5-ethyl-1H-pyrazole
CID 123618516
N-[(4-chlorophenyl)methyl]-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]acetamide
CID 56539714
2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]acetic acid
CID 82392813
(4-chlorophenyl)-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]methanone
CID 12544472
3-(4-chlorophenyl)-6-oxo-1H-pyridazine-5-carboxylic acid
CID 82445716
3-[3-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-5-yl]propanoic acid
CID 82123787
methyl 3-(4-chlorophenyl)-6-oxo-1H-pyridazine-5-carboxylate
CID 142411116
N-(1-amino-2-methylpropan-2-yl)-3-(4-chlorophenyl)-1H-pyrazole-5-carboxamide
CID 119521772
3-[3-(4-methylphenyl)-1H-pyrazol-5-yl]propan-1-ol
CID 12517384
3-(4-chlorophenyl)-N-[(3,5-difluorophenyl)methyl]-1H-pyrazole-5-carboxamide
CID 46920460
N-(3-carbamoyl-2-methylphenyl)-3-(4-chlorophenyl)-1H-pyrazole-5-carboxamide
CID 34577805
N-[[3-(3-chloro-4-fluorophenyl)-1H-pyrazol-5-yl]methyl]ethanamine
CID 55035889

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]propanamide?
The IUPAC name of 3-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]propanamide (CID 142636925) is 3-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]propanamide.
What is the SMILES notation for 3-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]propanamide?
The canonical SMILES for 3-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]propanamide is NC(=O)CCc1cc(-c2ccc(Cl)cc2)n[nH]1.
What is the InChIKey of 3-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]propanamide?
The InChIKey is VQYRQUABGBIXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O/c13-9-3-1-8(2-4-9)11-7-10(15-16-11)5-6-12(14)17/h1-4,7H,5-6H2,(H2,14,17)(H,15,16).
What are the key properties of 3-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]propanamide?
3-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]propanamide has a molecular weight of 249.70 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]propanamide is sourced from PubChem (CID 142636925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).