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

C11H8ClF3N2O — CID 11357876

IUPAC3-(4-chloro-2-fluorophenyl)-5-(difluoromethoxy)-1-methylpyrazole
SMILESCn1nc(-c2ccc(Cl)cc2F)cc1OC(F)F
InChIInChI=1S/C11H8ClF3N2O/c1-17-10(18-11(14)15)5-9(16-17)7-3-2-6(12)4-8(7)13/h2-5,11H,1H3
InChIKeyPVPGETGRCHCOFS-UHFFFAOYSA-N
MW276.65 g/mol
LogP3.48
Rot. Bonds3

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

3-(4-chloro-2-fluorophenyl)-5-(difluoromethoxy)-1-methylpyrazole (PubChem CID 11357876) has the molecular formula C11H8ClF3N2O and a molecular weight of 276.65 g/mol. Its IUPAC name is 3-(4-chloro-2-fluorophenyl)-5-(difluoromethoxy)-1-methylpyrazole.

Molecular Properties

Compound Name3-(4-chloro-2-fluorophenyl)-5-(difluoromethoxy)-1-methylpyrazole
PubChem CID11357876
Molecular FormulaC11H8ClF3N2O
Molecular Weight276.65 g/mol
Exact Mass276.03
IUPAC Name3-(4-chloro-2-fluorophenyl)-5-(difluoromethoxy)-1-methylpyrazole
SMILESCn1nc(-c2ccc(Cl)cc2F)cc1OC(F)F
InChIInChI=1S/C11H8ClF3N2O/c1-17-10(18-11(14)15)5-9(16-17)7-3-2-6(12)4-8(7)13/h2-5,11H,1H3
InChIKeyPVPGETGRCHCOFS-UHFFFAOYSA-N
XLogP3.48
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.65
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 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

5-(4-Chlorophenyl)-1-(4-methoxyphenyl)-3-trifluoromethylpyrazole
CID 4306515
4-Chloro-3-(4-chloro-2-fluoro-5-methoxyphenyl)-5-(difluoromethoxy)-1-methyl-1H-pyrazole
CID 22392595
US10183913, Example 482
CID 56602156
US11576897, Example 224
CID 142401752
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
3-Chloro-5-(4-methoxyphenyl)-1-methyl-4-(2,4,6-trifluorophenyl)pyrazole
CID 44256427
5-(Difluoromethoxy)-1-methyl-3-(4-methylphenyl)pyrazole
CID 4118684
1-benzyl-3-(difluoromethyl)-5-ethoxy-1H-pyrazole
CID 75454665
5-Chloro-3-(4-methoxyphenyl)-1-methyl-4-(2,4,6-trifluorophenyl)pyrazole
CID 135024577
5-chloro-3-(4-methoxyphenyl)-1-methyl-1H-pyrazole
CID 12035669
1-(4-chlorobenzyl)-3,5-bis[4-(difluoromethoxy)phenyl]-1H-pyrazole
CID 17025640

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2-fluorophenyl)-5-(difluoromethoxy)-1-methylpyrazole?
The IUPAC name of 3-(4-chloro-2-fluorophenyl)-5-(difluoromethoxy)-1-methylpyrazole (CID 11357876) is 3-(4-chloro-2-fluorophenyl)-5-(difluoromethoxy)-1-methylpyrazole.
What is the SMILES notation for 3-(4-chloro-2-fluorophenyl)-5-(difluoromethoxy)-1-methylpyrazole?
The canonical SMILES for 3-(4-chloro-2-fluorophenyl)-5-(difluoromethoxy)-1-methylpyrazole is Cn1nc(-c2ccc(Cl)cc2F)cc1OC(F)F.
What is the InChIKey of 3-(4-chloro-2-fluorophenyl)-5-(difluoromethoxy)-1-methylpyrazole?
The InChIKey is PVPGETGRCHCOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClF3N2O/c1-17-10(18-11(14)15)5-9(16-17)7-3-2-6(12)4-8(7)13/h2-5,11H,1H3.
What are the key properties of 3-(4-chloro-2-fluorophenyl)-5-(difluoromethoxy)-1-methylpyrazole?
3-(4-chloro-2-fluorophenyl)-5-(difluoromethoxy)-1-methylpyrazole has a molecular weight of 276.65 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-2-fluorophenyl)-5-(difluoromethoxy)-1-methylpyrazole is sourced from PubChem (CID 11357876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).