4-chloro-3-(4-chloro-2-fluorophenyl)-5-(difluoromethoxy)-1-methylpyrazole

C11H7Cl2F3N2O — CID 11438328

IUPAC4-chloro-3-(4-chloro-2-fluorophenyl)-5-(difluoromethoxy)-1-methylpyrazole
SMILESCn1nc(-c2ccc(Cl)cc2F)c(Cl)c1OC(F)F
InChIInChI=1S/C11H7Cl2F3N2O/c1-18-10(19-11(15)16)8(13)9(17-18)6-3-2-5(12)4-7(6)14/h2-4,11H,1H3
InChIKeyJQQYHVRMEQQOAZ-UHFFFAOYSA-N
MW311.09 g/mol
LogP4.13
Rot. Bonds3

About 4-chloro-3-(4-chloro-2-fluorophenyl)-5-(difluoromethoxy)-1-methylpyrazole

4-chloro-3-(4-chloro-2-fluorophenyl)-5-(difluoromethoxy)-1-methylpyrazole (PubChem CID 11438328) has the molecular formula C11H7Cl2F3N2O and a molecular weight of 311.09 g/mol. Its IUPAC name is 4-chloro-3-(4-chloro-2-fluorophenyl)-5-(difluoromethoxy)-1-methylpyrazole.

Molecular Properties

Compound Name4-chloro-3-(4-chloro-2-fluorophenyl)-5-(difluoromethoxy)-1-methylpyrazole
PubChem CID11438328
Molecular FormulaC11H7Cl2F3N2O
Molecular Weight311.09 g/mol
Exact Mass309.99
IUPAC Name4-chloro-3-(4-chloro-2-fluorophenyl)-5-(difluoromethoxy)-1-methylpyrazole
SMILESCn1nc(-c2ccc(Cl)cc2F)c(Cl)c1OC(F)F
InChIInChI=1S/C11H7Cl2F3N2O/c1-18-10(19-11(15)16)8(13)9(17-18)6-3-2-5(12)4-7(6)14/h2-4,11H,1H3
InChIKeyJQQYHVRMEQQOAZ-UHFFFAOYSA-N
XLogP4.13
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.09
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-chloro-3-(4-chloro-2-fluorophenyl)-5-(difluoromethoxy)-1-methylpyrazole 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

4-Chloro-3-(4-chloro-2-fluoro-5-hydroxyphenyl)-5-difluoromethoxy-1-methylpyrazole
CID 11324880
4-Chloro-3-(4-chloro-2-fluoro-5-methoxyphenyl)-5-(difluoromethoxy)-1-methyl-1H-pyrazole
CID 22392595
4-[(4-Ethylphenyl)methyl]-3-methoxy-1-methyl-5-(trifluoromethyl)pyrazole
CID 10851605
3-Chloro-5-(4-chlorophenyl)-4-(2,6-difluoro-4-methoxyphenyl)-1-methylpyrazole
CID 44241548
5-[4-Bromo-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-2-chloro-4-fluoroaniline
CID 10948671
4-Bromo-3-(4-chloro-2-fluorophenyl)-5-(difluoromethoxy)-1-methylpyrazole
CID 11013698
3-[(2,3-Dichlorophenyl)methyl]-5-(difluoromethoxy)-1-methylpyrazole
CID 11023193
3-(5-Azido-4-chloro-2-fluorophenyl)-4-bromo-5-(difluoromethoxy)-1-methylpyrazole
CID 11069323
1-Methyl-5-difluoromethoxy-3-(2-fluoro-4-chlorophenyl)pyrazole
CID 11357876
4-Chloro-3-[4-chloro-2-fluoro-5-(4-methoxybut-2-ynoxy)phenyl]-5-(difluoromethoxy)-1-methylpyrazole
CID 11407189
1-Methyl-5-difluoromethoxy-4-chloro-3-(2-fluoro-4-chloro-5-aminophenyl)pyrazole
CID 11427347
3-(4-Chloro-2-fluoro-5-propan-2-yloxyphenyl)-5-(difluoromethoxy)-1-methylpyrazole
CID 11439056

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(4-chloro-2-fluorophenyl)-5-(difluoromethoxy)-1-methylpyrazole?
The IUPAC name of 4-chloro-3-(4-chloro-2-fluorophenyl)-5-(difluoromethoxy)-1-methylpyrazole (CID 11438328) is 4-chloro-3-(4-chloro-2-fluorophenyl)-5-(difluoromethoxy)-1-methylpyrazole.
What is the SMILES notation for 4-chloro-3-(4-chloro-2-fluorophenyl)-5-(difluoromethoxy)-1-methylpyrazole?
The canonical SMILES for 4-chloro-3-(4-chloro-2-fluorophenyl)-5-(difluoromethoxy)-1-methylpyrazole is Cn1nc(-c2ccc(Cl)cc2F)c(Cl)c1OC(F)F.
What is the InChIKey of 4-chloro-3-(4-chloro-2-fluorophenyl)-5-(difluoromethoxy)-1-methylpyrazole?
The InChIKey is JQQYHVRMEQQOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2F3N2O/c1-18-10(19-11(15)16)8(13)9(17-18)6-3-2-5(12)4-7(6)14/h2-4,11H,1H3.
What are the key properties of 4-chloro-3-(4-chloro-2-fluorophenyl)-5-(difluoromethoxy)-1-methylpyrazole?
4-chloro-3-(4-chloro-2-fluorophenyl)-5-(difluoromethoxy)-1-methylpyrazole has a molecular weight of 311.09 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(4-chloro-2-fluorophenyl)-5-(difluoromethoxy)-1-methylpyrazole is sourced from PubChem (CID 11438328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).