2-(4-chlorophenyl)-1-(2,5-dimethylpyrazol-3-yl)ethanone

C13H13ClN2O — CID 105078035

IUPAC2-(4-chlorophenyl)-1-(2,5-dimethylpyrazol-3-yl)ethanone
SMILESCc1cc(C(=O)Cc2ccc(Cl)cc2)n(C)n1
InChIInChI=1S/C13H13ClN2O/c1-9-7-12(16(2)15-9)13(17)8-10-3-5-11(14)6-4-10/h3-7H,8H2,1-2H3
InChIKeyOIZNXVFYQOPCKN-UHFFFAOYSA-N
MW248.71 g/mol
LogP2.81
Rot. Bonds3

About 2-(4-chlorophenyl)-1-(2,5-dimethylpyrazol-3-yl)ethanone

2-(4-chlorophenyl)-1-(2,5-dimethylpyrazol-3-yl)ethanone (PubChem CID 105078035) has the molecular formula C13H13ClN2O and a molecular weight of 248.71 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-(2,5-dimethylpyrazol-3-yl)ethanone.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-(2,5-dimethylpyrazol-3-yl)ethanone
PubChem CID105078035
Molecular FormulaC13H13ClN2O
Molecular Weight248.71 g/mol
Exact Mass248.07
IUPAC Name2-(4-chlorophenyl)-1-(2,5-dimethylpyrazol-3-yl)ethanone
SMILESCc1cc(C(=O)Cc2ccc(Cl)cc2)n(C)n1
InChIInChI=1S/C13H13ClN2O/c1-9-7-12(16(2)15-9)13(17)8-10-3-5-11(14)6-4-10/h3-7H,8H2,1-2H3
InChIKeyOIZNXVFYQOPCKN-UHFFFAOYSA-N
XLogP2.81
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.71
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-difluorophenyl)-1-(2,5-dimethylpyrazol-3-yl)ethanone
CID 105124609
1-(2,5-dimethylpyrazol-3-yl)-2-pyridin-4-ylethanone
CID 105110466
2-(3-chloro-4-fluorophenyl)-1-(3-ethyl-1-methylpyrazol-5-yl)ethanone
CID 103042823
(2,5-dichlorophenyl)-(2,5-dimethylpyrazol-3-yl)methanone
CID 105095285
1-(2,5-dimethylpyrazol-3-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanone
CID 105109337
2-[(4-chlorophenyl)methyl]-5-methylpyrazole-3-carbohydrazide
CID 5239334
2-(3-chloro-4-fluorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 103042869
N-[4-(2-amino-2-sulfanylideneethyl)phenyl]-2,5-dimethylpyrazole-3-carboxamide
CID 66128409
1-(2,4-dichlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanone
CID 114978828
2-(4-methylphenyl)-1-(3-methyltriazol-4-yl)ethanone
CID 114685716
ethyl 3-(2,5-dimethylpyrazol-3-yl)-3-oxopropanoate
CID 6422536
[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone
CID 19479072

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-(2,5-dimethylpyrazol-3-yl)ethanone?
The IUPAC name of 2-(4-chlorophenyl)-1-(2,5-dimethylpyrazol-3-yl)ethanone (CID 105078035) is 2-(4-chlorophenyl)-1-(2,5-dimethylpyrazol-3-yl)ethanone.
What is the SMILES notation for 2-(4-chlorophenyl)-1-(2,5-dimethylpyrazol-3-yl)ethanone?
The canonical SMILES for 2-(4-chlorophenyl)-1-(2,5-dimethylpyrazol-3-yl)ethanone is Cc1cc(C(=O)Cc2ccc(Cl)cc2)n(C)n1.
What is the InChIKey of 2-(4-chlorophenyl)-1-(2,5-dimethylpyrazol-3-yl)ethanone?
The InChIKey is OIZNXVFYQOPCKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O/c1-9-7-12(16(2)15-9)13(17)8-10-3-5-11(14)6-4-10/h3-7H,8H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-1-(2,5-dimethylpyrazol-3-yl)ethanone?
2-(4-chlorophenyl)-1-(2,5-dimethylpyrazol-3-yl)ethanone has a molecular weight of 248.71 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-(2,5-dimethylpyrazol-3-yl)ethanone is sourced from PubChem (CID 105078035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).