(4-chloro-3,5-dimethylpyrazol-1-yl)-(3,4-dichlorophenyl)methanone

C12H9Cl3N2O — CID 674655

IUPAC(4-chloro-3,5-dimethylpyrazol-1-yl)-(3,4-dichlorophenyl)methanone
SMILESCc1nn(C(=O)c2ccc(Cl)c(Cl)c2)c(C)c1Cl
InChIInChI=1S/C12H9Cl3N2O/c1-6-11(15)7(2)17(16-6)12(18)8-3-4-9(13)10(14)5-8/h3-5H,1-2H3
InChIKeyFFPPHFPEHWZLKR-UHFFFAOYSA-N
MW303.58 g/mol
LogP4.15
Rot. Bonds1

About (4-chloro-3,5-dimethylpyrazol-1-yl)-(3,4-dichlorophenyl)methanone

(4-chloro-3,5-dimethylpyrazol-1-yl)-(3,4-dichlorophenyl)methanone (PubChem CID 674655) has the molecular formula C12H9Cl3N2O and a molecular weight of 303.58 g/mol. Its IUPAC name is (4-chloro-3,5-dimethylpyrazol-1-yl)-(3,4-dichlorophenyl)methanone.

Molecular Properties

Compound Name(4-chloro-3,5-dimethylpyrazol-1-yl)-(3,4-dichlorophenyl)methanone
PubChem CID674655
Molecular FormulaC12H9Cl3N2O
Molecular Weight303.58 g/mol
Exact Mass301.98
IUPAC Name(4-chloro-3,5-dimethylpyrazol-1-yl)-(3,4-dichlorophenyl)methanone
SMILESCc1nn(C(=O)c2ccc(Cl)c(Cl)c2)c(C)c1Cl
InChIInChI=1S/C12H9Cl3N2O/c1-6-11(15)7(2)17(16-6)12(18)8-3-4-9(13)10(14)5-8/h3-5H,1-2H3
InChIKeyFFPPHFPEHWZLKR-UHFFFAOYSA-N
XLogP4.15
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.58
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3,4-dichlorophenyl)(1H-pyrazol-1-yl)methanone
CID 674628
4-chloro-1-((4-chlorophenyl)carbonyl)-3,5-dimethyl-1H-pyrazole
CID 685663
(4-Chloro-3,5-dimethylpyrazol-1-yl)-(2-fluorophenyl)methanone
CID 674640
1-(4-chloro-2,3-difluorobenzoyl)-3,5-dimethyl-1H-pyrazole
CID 2211769
1-(3,4-Dichlorobenzoyl)-3,5-dimethyl-1H-pyrazole
CID 599596
3-Chloro-N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl)benzamide
CID 745024
1-(2-chlorobenzoyl)-3,5-dimethyl-1H-pyrazole
CID 785958
4-chloro-N-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)benzamide
CID 832057
(4-Bromo-3,5-dimethylpyrazol-1-yl)-(4-chlorophenyl)methanone
CID 674646
4-chloro-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CID 703686
(4-Chloro-3,5-dimethylpyrazol-1-yl)-(4-methylphenyl)methanone
CID 145979441
(4-Chloro-3,5-dimethylpyrazol-1-yl)-(2-methylphenyl)methanone
CID 145992202

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3,5-dimethylpyrazol-1-yl)-(3,4-dichlorophenyl)methanone?
The IUPAC name of (4-chloro-3,5-dimethylpyrazol-1-yl)-(3,4-dichlorophenyl)methanone (CID 674655) is (4-chloro-3,5-dimethylpyrazol-1-yl)-(3,4-dichlorophenyl)methanone.
What is the SMILES notation for (4-chloro-3,5-dimethylpyrazol-1-yl)-(3,4-dichlorophenyl)methanone?
The canonical SMILES for (4-chloro-3,5-dimethylpyrazol-1-yl)-(3,4-dichlorophenyl)methanone is Cc1nn(C(=O)c2ccc(Cl)c(Cl)c2)c(C)c1Cl.
What is the InChIKey of (4-chloro-3,5-dimethylpyrazol-1-yl)-(3,4-dichlorophenyl)methanone?
The InChIKey is FFPPHFPEHWZLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl3N2O/c1-6-11(15)7(2)17(16-6)12(18)8-3-4-9(13)10(14)5-8/h3-5H,1-2H3.
What are the key properties of (4-chloro-3,5-dimethylpyrazol-1-yl)-(3,4-dichlorophenyl)methanone?
(4-chloro-3,5-dimethylpyrazol-1-yl)-(3,4-dichlorophenyl)methanone has a molecular weight of 303.58 g/mol, XLogP of 4.15, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3,5-dimethylpyrazol-1-yl)-(3,4-dichlorophenyl)methanone is sourced from PubChem (CID 674655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).