(2,5-dichlorophenyl)-(2,5-dimethylpyrazol-3-yl)methanone

C12H10Cl2N2O — CID 105095285

IUPAC(2,5-dichlorophenyl)-(2,5-dimethylpyrazol-3-yl)methanone
SMILESCc1cc(C(=O)c2cc(Cl)ccc2Cl)n(C)n1
InChIInChI=1S/C12H10Cl2N2O/c1-7-5-11(16(2)15-7)12(17)9-6-8(13)3-4-10(9)14/h3-6H,1-2H3
InChIKeyCVOIYLASPGIBMB-UHFFFAOYSA-N
MW269.13 g/mol
LogP3.27
Rot. Bonds2

About (2,5-dichlorophenyl)-(2,5-dimethylpyrazol-3-yl)methanone

(2,5-dichlorophenyl)-(2,5-dimethylpyrazol-3-yl)methanone (PubChem CID 105095285) has the molecular formula C12H10Cl2N2O and a molecular weight of 269.13 g/mol. Its IUPAC name is (2,5-dichlorophenyl)-(2,5-dimethylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name(2,5-dichlorophenyl)-(2,5-dimethylpyrazol-3-yl)methanone
PubChem CID105095285
Molecular FormulaC12H10Cl2N2O
Molecular Weight269.13 g/mol
Exact Mass268.02
IUPAC Name(2,5-dichlorophenyl)-(2,5-dimethylpyrazol-3-yl)methanone
SMILESCc1cc(C(=O)c2cc(Cl)ccc2Cl)n(C)n1
InChIInChI=1S/C12H10Cl2N2O/c1-7-5-11(16(2)15-7)12(17)9-6-8(13)3-4-10(9)14/h3-6H,1-2H3
InChIKeyCVOIYLASPGIBMB-UHFFFAOYSA-N
XLogP3.27
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.13
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dichloro-N-(2,5-dimethylpyrazol-3-yl)benzamide
CID 45284555
(2,5-dimethylpyrazol-3-yl)-(3-fluoro-4-pyridinyl)methanone
CID 105129319
2-(4-chlorophenyl)-1-(2,5-dimethylpyrazol-3-yl)ethanone
CID 105078035
(2,5-dichlorophenyl)-(1-methylpyrazol-3-yl)methanone
CID 65195527
(2,4-dichlorophenyl)-(3-methyltriazol-4-yl)methanone
CID 115806610
(3,4-dimethylphenyl)-(2,5-dimethylpyrazol-3-yl)methanone
CID 105093552
1-(2,4-dichlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanone
CID 114978828
(2,5-dimethoxyphenyl)-(2,5-dimethylpyrazol-3-yl)methanone
CID 105098356
[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone
CID 19479072
N-(4-chloro-2-nitrophenyl)-2,5-dimethylpyrazole-3-carboxamide
CID 19481247
(2,5-dichlorophenyl)-(3,5-dimethylphenyl)methanone
CID 43344611
3-(3-amino-1-methylpyrazole-5-carbonyl)-4-chlorobenzonitrile
CID 156891469

Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorophenyl)-(2,5-dimethylpyrazol-3-yl)methanone?
The IUPAC name of (2,5-dichlorophenyl)-(2,5-dimethylpyrazol-3-yl)methanone (CID 105095285) is (2,5-dichlorophenyl)-(2,5-dimethylpyrazol-3-yl)methanone.
What is the SMILES notation for (2,5-dichlorophenyl)-(2,5-dimethylpyrazol-3-yl)methanone?
The canonical SMILES for (2,5-dichlorophenyl)-(2,5-dimethylpyrazol-3-yl)methanone is Cc1cc(C(=O)c2cc(Cl)ccc2Cl)n(C)n1.
What is the InChIKey of (2,5-dichlorophenyl)-(2,5-dimethylpyrazol-3-yl)methanone?
The InChIKey is CVOIYLASPGIBMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O/c1-7-5-11(16(2)15-7)12(17)9-6-8(13)3-4-10(9)14/h3-6H,1-2H3.
What are the key properties of (2,5-dichlorophenyl)-(2,5-dimethylpyrazol-3-yl)methanone?
(2,5-dichlorophenyl)-(2,5-dimethylpyrazol-3-yl)methanone has a molecular weight of 269.13 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichlorophenyl)-(2,5-dimethylpyrazol-3-yl)methanone is sourced from PubChem (CID 105095285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).