1-(2-chloro-3-methylphenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanone

C14H15ClN2O — CID 114978978

IUPAC1-(2-chloro-3-methylphenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanone
SMILESCc1cc(CC(=O)c2cccc(C)c2Cl)n(C)n1
InChIInChI=1S/C14H15ClN2O/c1-9-5-4-6-12(14(9)15)13(18)8-11-7-10(2)16-17(11)3/h4-7H,8H2,1-3H3
InChIKeyFUPBNDVPJIXAHZ-UHFFFAOYSA-N
MW262.74 g/mol
LogP3.12
Rot. Bonds3

About 1-(2-chloro-3-methylphenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanone

1-(2-chloro-3-methylphenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanone (PubChem CID 114978978) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is 1-(2-chloro-3-methylphenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanone.

Molecular Properties

Compound Name1-(2-chloro-3-methylphenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanone
PubChem CID114978978
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC Name1-(2-chloro-3-methylphenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanone
SMILESCc1cc(CC(=O)c2cccc(C)c2Cl)n(C)n1
InChIInChI=1S/C14H15ClN2O/c1-9-5-4-6-12(14(9)15)13(18)8-11-7-10(2)16-17(11)3/h4-7H,8H2,1-3H3
InChIKeyFUPBNDVPJIXAHZ-UHFFFAOYSA-N
XLogP3.12
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dichlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanone
CID 114978828
1-(2-tert-butylphenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanone
CID 114979035
2-(2,5-dimethylpyrazol-3-yl)-1-(4-fluoro-2-methylphenyl)ethanone
CID 81274086
1-(2-chloro-3-methylphenyl)-2-(2,6-dimethylphenyl)ethanone
CID 115792581
1-(4-amino-3,5-dichlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanone
CID 116609859
1-(3-bromo-4-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanone
CID 113336903
1-(2,4-dimethoxyphenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanone
CID 114978939
N-(3-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)acetamide
CID 110858844
1-(2-chloro-3-methylphenyl)-2-(3-chloro-4-pyridinyl)ethanone
CID 112655327
1-(2-chloro-3-methylphenyl)-2-(1,3-thiazol-2-yl)ethanone
CID 115786506
3-amino-1-(2-chloro-3-methylphenyl)propan-1-one
CID 117287477
2-(2,5-dimethylpyrazol-3-yl)-1-(5-methylpyrazin-2-yl)ethanone
CID 105108355

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-methylphenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanone?
The IUPAC name of 1-(2-chloro-3-methylphenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanone (CID 114978978) is 1-(2-chloro-3-methylphenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanone.
What is the SMILES notation for 1-(2-chloro-3-methylphenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanone?
The canonical SMILES for 1-(2-chloro-3-methylphenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanone is Cc1cc(CC(=O)c2cccc(C)c2Cl)n(C)n1.
What is the InChIKey of 1-(2-chloro-3-methylphenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanone?
The InChIKey is FUPBNDVPJIXAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O/c1-9-5-4-6-12(14(9)15)13(18)8-11-7-10(2)16-17(11)3/h4-7H,8H2,1-3H3.
What are the key properties of 1-(2-chloro-3-methylphenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanone?
1-(2-chloro-3-methylphenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanone has a molecular weight of 262.74 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-3-methylphenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanone is sourced from PubChem (CID 114978978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).