4-chloro-1-(5-chloro-2-methylphenyl)-3,5-dimethylpyrazole

C12H12Cl2N2 — CID 82088582

IUPAC4-chloro-1-(5-chloro-2-methylphenyl)-3,5-dimethylpyrazole
SMILESCc1ccc(Cl)cc1-n1nc(C)c(Cl)c1C
InChIInChI=1S/C12H12Cl2N2/c1-7-4-5-10(13)6-11(7)16-9(3)12(14)8(2)15-16/h4-6H,1-3H3
InChIKeyMPZOUJXBKDUFBD-UHFFFAOYSA-N
MW255.15 g/mol
LogP4.10
Rot. Bonds1

About 4-chloro-1-(5-chloro-2-methylphenyl)-3,5-dimethylpyrazole

4-chloro-1-(5-chloro-2-methylphenyl)-3,5-dimethylpyrazole (PubChem CID 82088582) has the molecular formula C12H12Cl2N2 and a molecular weight of 255.15 g/mol. Its IUPAC name is 4-chloro-1-(5-chloro-2-methylphenyl)-3,5-dimethylpyrazole.

Molecular Properties

Compound Name4-chloro-1-(5-chloro-2-methylphenyl)-3,5-dimethylpyrazole
PubChem CID82088582
Molecular FormulaC12H12Cl2N2
Molecular Weight255.15 g/mol
Exact Mass254.04
IUPAC Name4-chloro-1-(5-chloro-2-methylphenyl)-3,5-dimethylpyrazole
SMILESCc1ccc(Cl)cc1-n1nc(C)c(Cl)c1C
InChIInChI=1S/C12H12Cl2N2/c1-7-4-5-10(13)6-11(7)16-9(3)12(14)8(2)15-16/h4-6H,1-3H3
InChIKeyMPZOUJXBKDUFBD-UHFFFAOYSA-N
XLogP4.10
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.15
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-chloro-1-(5-chloro-2-methylphenyl)-3,5-dimethylpyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-2-(4-chloro-3,5-dimethylpyrazol-1-yl)benzaldehyde
CID 114844627
4-chloro-1-[4-chloro-2-(chloromethyl)phenyl]-3,5-dimethylpyrazole
CID 114846877
2-(5-chloro-2-methylphenyl)-4-methylphthalazin-1-one
CID 7277251
2-(5-chloro-2-methylphenyl)-4,5-dimethyltriazole
CID 142810831
2-(5-chloro-2-methylphenyl)pyrazol-3-amine
CID 82470501
1-(5-chloro-2-methylphenyl)-5-methyltriazole-4-carbonitrile
CID 82196284
2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-5-methylphenyl]ethanamine
CID 114057518
1-(2,5-dimethylphenyl)-3,4,5-trimethylpyrazole
CID 55029368
(1S)-1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]ethanamine
CID 78937665
1-(2,5-dichlorophenyl)-3,5-dimethylpyrazole-4-carbonitrile
CID 39365306
2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]ethanamine
CID 63816940
4-bromo-1-[5-chloro-2-(chloromethyl)phenyl]-3,5-dimethylpyrazole
CID 114846880

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(5-chloro-2-methylphenyl)-3,5-dimethylpyrazole?
The IUPAC name of 4-chloro-1-(5-chloro-2-methylphenyl)-3,5-dimethylpyrazole (CID 82088582) is 4-chloro-1-(5-chloro-2-methylphenyl)-3,5-dimethylpyrazole.
What is the SMILES notation for 4-chloro-1-(5-chloro-2-methylphenyl)-3,5-dimethylpyrazole?
The canonical SMILES for 4-chloro-1-(5-chloro-2-methylphenyl)-3,5-dimethylpyrazole is Cc1ccc(Cl)cc1-n1nc(C)c(Cl)c1C.
What is the InChIKey of 4-chloro-1-(5-chloro-2-methylphenyl)-3,5-dimethylpyrazole?
The InChIKey is MPZOUJXBKDUFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2/c1-7-4-5-10(13)6-11(7)16-9(3)12(14)8(2)15-16/h4-6H,1-3H3.
What are the key properties of 4-chloro-1-(5-chloro-2-methylphenyl)-3,5-dimethylpyrazole?
4-chloro-1-(5-chloro-2-methylphenyl)-3,5-dimethylpyrazole has a molecular weight of 255.15 g/mol, XLogP of 4.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(5-chloro-2-methylphenyl)-3,5-dimethylpyrazole is sourced from PubChem (CID 82088582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).