1-(3-chloro-4-methylphenyl)-3,5-bis[3-(difluoromethoxy)phenyl]pyrazole

C24H17ClF4N2O2 — CID 19587274

IUPAC1-(3-chloro-4-methylphenyl)-3,5-bis[3-(difluoromethoxy)phenyl]pyrazole
SMILESCc1ccc(-n2nc(-c3cccc(OC(F)F)c3)cc2-c2cccc(OC(F)F)c2)cc1Cl
InChIInChI=1S/C24H17ClF4N2O2/c1-14-8-9-17(12-20(14)25)31-22(16-5-3-7-19(11-16)33-24(28)29)13-21(30-31)15-4-2-6-18(10-15)32-23(26)27/h2-13,23-24H,1H3
InChIKeyVEMCJAFPHHRKAU-UHFFFAOYSA-N
MW476.86 g/mol
LogP7.37
Rot. Bonds7

About 1-(3-chloro-4-methylphenyl)-3,5-bis[3-(difluoromethoxy)phenyl]pyrazole

1-(3-chloro-4-methylphenyl)-3,5-bis[3-(difluoromethoxy)phenyl]pyrazole (PubChem CID 19587274) has the molecular formula C24H17ClF4N2O2 and a molecular weight of 476.86 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-3,5-bis[3-(difluoromethoxy)phenyl]pyrazole.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-3,5-bis[3-(difluoromethoxy)phenyl]pyrazole
PubChem CID19587274
Molecular FormulaC24H17ClF4N2O2
Molecular Weight476.86 g/mol
Exact Mass476.09
IUPAC Name1-(3-chloro-4-methylphenyl)-3,5-bis[3-(difluoromethoxy)phenyl]pyrazole
SMILESCc1ccc(-n2nc(-c3cccc(OC(F)F)c3)cc2-c2cccc(OC(F)F)c2)cc1Cl
InChIInChI=1S/C24H17ClF4N2O2/c1-14-8-9-17(12-20(14)25)31-22(16-5-3-7-19(11-16)33-24(28)29)13-21(30-31)15-4-2-6-18(10-15)32-23(26)27/h2-13,23-24H,1H3
InChIKeyVEMCJAFPHHRKAU-UHFFFAOYSA-N
XLogP7.37
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.86
LogP ≤ 57.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(3-chloro-4-methylphenyl)-3,5-bis[3-(difluoromethoxy)phenyl]pyrazole 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
Cav 2.2 blocker 1
CID 73292924
1-(4-Chloro-phenyl)-5-(4-methoxy-phenyl)-3-trifluoromethyl-1H-pyrazole
CID 10360688
5-(4-chlorophenyl)-1-(2-methoxyphenyl)-3-(tetrahydro-2H-pyran-4-yl)-1H-pyrazole
CID 73291871
5-(4-Chlorophenyl)-3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-1-(2-methoxyphenyl)-1H-pyrazole
CID 73291874
5-(4-chlorophenyl)-1-(2-methoxyphenyl)-3-(2,2,6,6-tetramethyl-3H-pyran-4-yl)pyrazole
CID 73293983
1-(3,4-dichlorophenyl)-3-[3-fluoro-5-(4-methoxytetrahydropyran-4-yl)phenoxymethyl]-5-phenyl-1H-pyrazole
CID 11180042
1-(4-chlorophenyl)-3-[3-fluoro-5-(4-methoxytetrahydropyran-4-yl)phenoxymethyl]-5-phenyl-1H-pyrazole
CID 11340857
3-(4-Chloro-phenyl)-1-(4-methoxy-phenyl)-4,5,6,7-tetrahydro-1H-indazol-5-ol
CID 15453873
3-(4-Chloro-phenyl)-5-fluoro-1-(4-methoxy-phenyl)-4,5,6,7-tetrahydro-1H-indazole
CID 44370604
3-(4-Chlorophenyl)-5-(2,5-dimethoxyphenyl)-1-phenylpyrazole
CID 24204419
5-(4-Chlorophenyl)-1-(2-methoxyphenyl)-3-(3-methoxypropyl)pyrazole
CID 145980629

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-3,5-bis[3-(difluoromethoxy)phenyl]pyrazole?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-3,5-bis[3-(difluoromethoxy)phenyl]pyrazole (CID 19587274) is 1-(3-chloro-4-methylphenyl)-3,5-bis[3-(difluoromethoxy)phenyl]pyrazole.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-3,5-bis[3-(difluoromethoxy)phenyl]pyrazole?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-3,5-bis[3-(difluoromethoxy)phenyl]pyrazole is Cc1ccc(-n2nc(-c3cccc(OC(F)F)c3)cc2-c2cccc(OC(F)F)c2)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-3,5-bis[3-(difluoromethoxy)phenyl]pyrazole?
The InChIKey is VEMCJAFPHHRKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClF4N2O2/c1-14-8-9-17(12-20(14)25)31-22(16-5-3-7-19(11-16)33-24(28)29)13-21(30-31)15-4-2-6-18(10-15)32-23(26)27/h2-13,23-24H,1H3.
What are the key properties of 1-(3-chloro-4-methylphenyl)-3,5-bis[3-(difluoromethoxy)phenyl]pyrazole?
1-(3-chloro-4-methylphenyl)-3,5-bis[3-(difluoromethoxy)phenyl]pyrazole has a molecular weight of 476.86 g/mol, XLogP of 7.37, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-3,5-bis[3-(difluoromethoxy)phenyl]pyrazole is sourced from PubChem (CID 19587274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).