2-(2,5-dichlorophenyl)-1-(1,5-dimethylpyrazol-4-yl)ethanone

C13H12Cl2N2O — CID 105102608

IUPAC2-(2,5-dichlorophenyl)-1-(1,5-dimethylpyrazol-4-yl)ethanone
SMILESCc1c(C(=O)Cc2cc(Cl)ccc2Cl)cnn1C
InChIInChI=1S/C13H12Cl2N2O/c1-8-11(7-16-17(8)2)13(18)6-9-5-10(14)3-4-12(9)15/h3-5,7H,6H2,1-2H3
InChIKeyRVQNMKMUAINWNV-UHFFFAOYSA-N
MW283.16 g/mol
LogP3.46
Rot. Bonds3

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

2-(2,5-dichlorophenyl)-1-(1,5-dimethylpyrazol-4-yl)ethanone (PubChem CID 105102608) has the molecular formula C13H12Cl2N2O and a molecular weight of 283.16 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)-1-(1,5-dimethylpyrazol-4-yl)ethanone.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)-1-(1,5-dimethylpyrazol-4-yl)ethanone
PubChem CID105102608
Molecular FormulaC13H12Cl2N2O
Molecular Weight283.16 g/mol
Exact Mass282.03
IUPAC Name2-(2,5-dichlorophenyl)-1-(1,5-dimethylpyrazol-4-yl)ethanone
SMILESCc1c(C(=O)Cc2cc(Cl)ccc2Cl)cnn1C
InChIInChI=1S/C13H12Cl2N2O/c1-8-11(7-16-17(8)2)13(18)6-9-5-10(14)3-4-12(9)15/h3-5,7H,6H2,1-2H3
InChIKeyRVQNMKMUAINWNV-UHFFFAOYSA-N
XLogP3.46
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.16
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-2-fluorophenyl)-1-(1,5-dimethylpyrazol-4-yl)ethanone
CID 105135709
1-(5-amino-1-methylpyrazol-4-yl)-2-(2,5-dichlorophenyl)ethanone
CID 65360640
2-(3-chlorophenyl)-1-(1,5-dimethylpyrazol-4-yl)ethanone
CID 105078195
N-(2,5-dichlorophenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 110864104
1-(5-chloro-2-methylphenyl)-2-(2,5-dichlorophenyl)ethanone
CID 114973852
2-(2,5-dichlorophenyl)-1-(2-methyl-3-pyridinyl)ethanone
CID 105102625
2-(2-bromo-5-fluorophenyl)-1-(1,5-dimethylpyrazol-4-yl)ethanone
CID 105090170
1-(2-bromo-4-methylphenyl)-2-(2,5-dichlorophenyl)ethanone
CID 114973882
2,4-dichloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]benzamide
CID 19282119
N-(2-amino-4-chlorophenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 28776782
4-amino-1-(1,5-dimethylpyrazol-4-yl)butan-1-one
CID 82408297
2-(2,5-dichlorophenyl)-1-(2,5-difluorophenyl)ethanone
CID 65321264

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)-1-(1,5-dimethylpyrazol-4-yl)ethanone?
The IUPAC name of 2-(2,5-dichlorophenyl)-1-(1,5-dimethylpyrazol-4-yl)ethanone (CID 105102608) is 2-(2,5-dichlorophenyl)-1-(1,5-dimethylpyrazol-4-yl)ethanone.
What is the SMILES notation for 2-(2,5-dichlorophenyl)-1-(1,5-dimethylpyrazol-4-yl)ethanone?
The canonical SMILES for 2-(2,5-dichlorophenyl)-1-(1,5-dimethylpyrazol-4-yl)ethanone is Cc1c(C(=O)Cc2cc(Cl)ccc2Cl)cnn1C.
What is the InChIKey of 2-(2,5-dichlorophenyl)-1-(1,5-dimethylpyrazol-4-yl)ethanone?
The InChIKey is RVQNMKMUAINWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O/c1-8-11(7-16-17(8)2)13(18)6-9-5-10(14)3-4-12(9)15/h3-5,7H,6H2,1-2H3.
What are the key properties of 2-(2,5-dichlorophenyl)-1-(1,5-dimethylpyrazol-4-yl)ethanone?
2-(2,5-dichlorophenyl)-1-(1,5-dimethylpyrazol-4-yl)ethanone has a molecular weight of 283.16 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)-1-(1,5-dimethylpyrazol-4-yl)ethanone is sourced from PubChem (CID 105102608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).