4-chloro-1-(4-chlorophenyl)-3,5-dimethylpyrazole

C11H10Cl2N2 — CID 45112430

IUPAC4-chloro-1-(4-chlorophenyl)-3,5-dimethylpyrazole
SMILESCc1nn(-c2ccc(Cl)cc2)c(C)c1Cl
InChIInChI=1S/C11H10Cl2N2/c1-7-11(13)8(2)15(14-7)10-5-3-9(12)4-6-10/h3-6H,1-2H3
InChIKeyORXTXGGYGWWEHE-UHFFFAOYSA-N
MW241.12 g/mol
LogP3.80
Rot. Bonds1

About 4-chloro-1-(4-chlorophenyl)-3,5-dimethylpyrazole

4-chloro-1-(4-chlorophenyl)-3,5-dimethylpyrazole (PubChem CID 45112430) has the molecular formula C11H10Cl2N2 and a molecular weight of 241.12 g/mol. Its IUPAC name is 4-chloro-1-(4-chlorophenyl)-3,5-dimethylpyrazole.

Molecular Properties

Compound Name4-chloro-1-(4-chlorophenyl)-3,5-dimethylpyrazole
PubChem CID45112430
Molecular FormulaC11H10Cl2N2
Molecular Weight241.12 g/mol
Exact Mass240.02
IUPAC Name4-chloro-1-(4-chlorophenyl)-3,5-dimethylpyrazole
SMILESCc1nn(-c2ccc(Cl)cc2)c(C)c1Cl
InChIInChI=1S/C11H10Cl2N2/c1-7-11(13)8(2)15(14-7)10-5-3-9(12)4-6-10/h3-6H,1-2H3
InChIKeyORXTXGGYGWWEHE-UHFFFAOYSA-N
XLogP3.80
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.12
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1H-Pyrazol-5-amine, 1-(4-chlorophenyl)-3-methyl-
CID 170301
Dimethylphenylpyrazole
CID 70800
1-(5-Chloro-2-nitrophenyl)-3,5-dimethylpyrazole
CID 773529
4-(3,5-dimethyl-1H-pyrazol-1-yl)aniline
CID 714550
5-Chloro-3-methyl-1-phenyl-1H-pyrazole-4-carbaldehyde oxime
CID 6483733
5-chloro-4-(chloromethyl)-3-methyl-1-phenyl-1H-pyrazole
CID 4962775
1-(2,4-dichlorophenyl)-1H-pyrazole
CID 12100783
3-Methyl-1-(2,4,6-trichlorophenyl)-1H-pyrazol-5-amine
CID 2060032
1-(3-chloro-4-methylphenyl)-3,5-dimethyl-1H-pyrazole
CID 799751
1-(3,4-Dichlorophenyl)-3,5-dimethylpyrazole
CID 1072358
1-(4-chlorophenyl)-1H-pyrazole
CID 12238132
5-Chloro-3-methyl-1-phenyl-1H-pyrazole
CID 2735771

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(4-chlorophenyl)-3,5-dimethylpyrazole?
The IUPAC name of 4-chloro-1-(4-chlorophenyl)-3,5-dimethylpyrazole (CID 45112430) is 4-chloro-1-(4-chlorophenyl)-3,5-dimethylpyrazole.
What is the SMILES notation for 4-chloro-1-(4-chlorophenyl)-3,5-dimethylpyrazole?
The canonical SMILES for 4-chloro-1-(4-chlorophenyl)-3,5-dimethylpyrazole is Cc1nn(-c2ccc(Cl)cc2)c(C)c1Cl.
What is the InChIKey of 4-chloro-1-(4-chlorophenyl)-3,5-dimethylpyrazole?
The InChIKey is ORXTXGGYGWWEHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2/c1-7-11(13)8(2)15(14-7)10-5-3-9(12)4-6-10/h3-6H,1-2H3.
What are the key properties of 4-chloro-1-(4-chlorophenyl)-3,5-dimethylpyrazole?
4-chloro-1-(4-chlorophenyl)-3,5-dimethylpyrazole has a molecular weight of 241.12 g/mol, XLogP of 3.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(4-chlorophenyl)-3,5-dimethylpyrazole is sourced from PubChem (CID 45112430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).