2-chloro-N-[4-(5-methylpyrazol-1-yl)phenyl]acetamide

C12H12ClN3O — CID 166432157

IUPAC2-chloro-N-[4-(5-methylpyrazol-1-yl)phenyl]acetamide
SMILESCc1ccnn1-c1ccc(NC(=O)CCl)cc1
InChIInChI=1S/C12H12ClN3O/c1-9-6-7-14-16(9)11-4-2-10(3-5-11)15-12(17)8-13/h2-7H,8H2,1H3,(H,15,17)
InChIKeyMOTSWXIDTDUFIU-UHFFFAOYSA-N
MW249.70 g/mol
LogP2.36
Rot. Bonds3

About 2-chloro-N-[4-(5-methylpyrazol-1-yl)phenyl]acetamide

2-chloro-N-[4-(5-methylpyrazol-1-yl)phenyl]acetamide (PubChem CID 166432157) has the molecular formula C12H12ClN3O and a molecular weight of 249.70 g/mol. Its IUPAC name is 2-chloro-N-[4-(5-methylpyrazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[4-(5-methylpyrazol-1-yl)phenyl]acetamide
PubChem CID166432157
Molecular FormulaC12H12ClN3O
Molecular Weight249.70 g/mol
Exact Mass249.07
IUPAC Name2-chloro-N-[4-(5-methylpyrazol-1-yl)phenyl]acetamide
SMILESCc1ccnn1-c1ccc(NC(=O)CCl)cc1
InChIInChI=1S/C12H12ClN3O/c1-9-6-7-14-16(9)11-4-2-10(3-5-11)15-12(17)8-13/h2-7H,8H2,1H3,(H,15,17)
InChIKeyMOTSWXIDTDUFIU-UHFFFAOYSA-N
XLogP2.36
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 ≤ 52.36
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

N,N-diethyl-4-[[4-(5-methylpyrazol-1-yl)benzoyl]amino]benzamide
CID 9047752
[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 4-(5-methylpyrazol-1-yl)benzoate
CID 8552639
N-(4-ethoxyphenyl)-4-(5-methylpyrazol-1-yl)benzamide
CID 9043122
[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 4-(5-methylpyrazol-1-yl)benzoate
CID 8553367
4-(5-methylpyrazol-1-yl)benzoic acid
CID 4962781
[2-[(3,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 4-(5-methylpyrazol-1-yl)benzoate
CID 9380656
5-methyl-1-(4-methylphenyl)pyrazole
CID 53302146
N-[[4-(5-methylpyrazol-1-yl)phenyl]methyl]hydroxylamine
CID 117291725
2-chloro-N-[4-[[4-[(2-chloroacetyl)amino]phenyl]diazenyl]phenyl]acetamide
CID 86022306
N-(3-chloro-4-methoxyphenyl)-4-(5-methylpyrazol-1-yl)benzamide
CID 9269655
2-chloro-N-[4-[3-(2-methoxyethoxy)-5-(3-methylphenyl)-1,2,4-triazol-1-yl]phenyl]acetamide
CID 127052131
[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 4-(5-methylpyrazol-1-yl)benzoate
CID 8553639

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-(5-methylpyrazol-1-yl)phenyl]acetamide?
The IUPAC name of 2-chloro-N-[4-(5-methylpyrazol-1-yl)phenyl]acetamide (CID 166432157) is 2-chloro-N-[4-(5-methylpyrazol-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-chloro-N-[4-(5-methylpyrazol-1-yl)phenyl]acetamide?
The canonical SMILES for 2-chloro-N-[4-(5-methylpyrazol-1-yl)phenyl]acetamide is Cc1ccnn1-c1ccc(NC(=O)CCl)cc1.
What is the InChIKey of 2-chloro-N-[4-(5-methylpyrazol-1-yl)phenyl]acetamide?
The InChIKey is MOTSWXIDTDUFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O/c1-9-6-7-14-16(9)11-4-2-10(3-5-11)15-12(17)8-13/h2-7H,8H2,1H3,(H,15,17).
What are the key properties of 2-chloro-N-[4-(5-methylpyrazol-1-yl)phenyl]acetamide?
2-chloro-N-[4-(5-methylpyrazol-1-yl)phenyl]acetamide has a molecular weight of 249.70 g/mol, XLogP of 2.36, 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-(5-methylpyrazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 166432157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).