N-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]acetamide

C12H12ClN3O — CID 57278504

IUPACN-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]acetamide
SMILESCC(=O)Nc1cc(C)n(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C12H12ClN3O/c1-8-7-12(14-9(2)17)15-16(8)11-5-3-10(13)4-6-11/h3-7H,1-2H3,(H,14,15,17)
InChIKeyDNQZRJSRXHCQGT-UHFFFAOYSA-N
MW249.70 g/mol
LogP2.79
Rot. Bonds2

About N-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]acetamide

N-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]acetamide (PubChem CID 57278504) has the molecular formula C12H12ClN3O and a molecular weight of 249.70 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]acetamide
PubChem CID57278504
Molecular FormulaC12H12ClN3O
Molecular Weight249.70 g/mol
Exact Mass249.07
IUPAC NameN-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]acetamide
SMILESCC(=O)Nc1cc(C)n(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C12H12ClN3O/c1-8-7-12(14-9(2)17)15-16(8)11-5-3-10(13)4-6-11/h3-7H,1-2H3,(H,14,15,17)
InChIKeyDNQZRJSRXHCQGT-UHFFFAOYSA-N
XLogP2.79
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]-4-methylthiophene-2-carboxamide
CID 46107110
N-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]-3,5-dimethoxybenzamide
CID 46107097
6-chloro-N-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]pyridine-3-carboxamide
CID 46107107
4-chloro-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]benzamide
CID 34846987
2-bromo-N-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]benzamide
CID 42880595
N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-oxopropanamide
CID 19284125
N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]acetamide
CID 19337089
4-tert-butyl-N-(5-methyl-1-phenylpyrazol-3-yl)benzamide
CID 46107065
N-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]quinoxaline-2-carboxamide
CID 46107928
3-amino-N-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]butanamide;hydrochloride
CID 120874135
1-[1-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-(2-hydroxyethyl)urea
CID 75483645
N-(5-chloro-2-methoxyphenyl)-1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 9191963

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]acetamide?
The IUPAC name of N-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]acetamide (CID 57278504) is N-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]acetamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]acetamide?
The canonical SMILES for N-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]acetamide is CC(=O)Nc1cc(C)n(-c2ccc(Cl)cc2)n1.
What is the InChIKey of N-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]acetamide?
The InChIKey is DNQZRJSRXHCQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O/c1-8-7-12(14-9(2)17)15-16(8)11-5-3-10(13)4-6-11/h3-7H,1-2H3,(H,14,15,17).
What are the key properties of N-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]acetamide?
N-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]acetamide has a molecular weight of 249.70 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]acetamide is sourced from PubChem (CID 57278504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).