4-chloro-1-(2-chlorophenyl)-3,5-bis[4-(difluoromethoxy)phenyl]pyrazole

C23H14Cl2F4N2O2 — CID 19587497

IUPAC4-chloro-1-(2-chlorophenyl)-3,5-bis[4-(difluoromethoxy)phenyl]pyrazole
SMILESFC(F)Oc1ccc(-c2nn(-c3ccccc3Cl)c(-c3ccc(OC(F)F)cc3)c2Cl)cc1
InChIInChI=1S/C23H14Cl2F4N2O2/c24-17-3-1-2-4-18(17)31-21(14-7-11-16(12-8-14)33-23(28)29)19(25)20(30-31)13-5-9-15(10-6-13)32-22(26)27/h1-12,22-23H
InChIKeyUQXDUGJLROTHCE-UHFFFAOYSA-N
MW497.28 g/mol
LogP7.72
Rot. Bonds7

About 4-chloro-1-(2-chlorophenyl)-3,5-bis[4-(difluoromethoxy)phenyl]pyrazole

4-chloro-1-(2-chlorophenyl)-3,5-bis[4-(difluoromethoxy)phenyl]pyrazole (PubChem CID 19587497) has the molecular formula C23H14Cl2F4N2O2 and a molecular weight of 497.28 g/mol. Its IUPAC name is 4-chloro-1-(2-chlorophenyl)-3,5-bis[4-(difluoromethoxy)phenyl]pyrazole.

Molecular Properties

Compound Name4-chloro-1-(2-chlorophenyl)-3,5-bis[4-(difluoromethoxy)phenyl]pyrazole
PubChem CID19587497
Molecular FormulaC23H14Cl2F4N2O2
Molecular Weight497.28 g/mol
Exact Mass496.04
IUPAC Name4-chloro-1-(2-chlorophenyl)-3,5-bis[4-(difluoromethoxy)phenyl]pyrazole
SMILESFC(F)Oc1ccc(-c2nn(-c3ccccc3Cl)c(-c3ccc(OC(F)F)cc3)c2Cl)cc1
InChIInChI=1S/C23H14Cl2F4N2O2/c24-17-3-1-2-4-18(17)31-21(14-7-11-16(12-8-14)33-23(28)29)19(25)20(30-31)13-5-9-15(10-6-13)32-22(26)27/h1-12,22-23H
InChIKeyUQXDUGJLROTHCE-UHFFFAOYSA-N
XLogP7.72
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.28
LogP ≤ 57.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-chloro-1-(2-chlorophenyl)-3,5-bis[4-(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

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(2-chlorophenyl)-3,5-bis[4-(difluoromethoxy)phenyl]pyrazole?
The IUPAC name of 4-chloro-1-(2-chlorophenyl)-3,5-bis[4-(difluoromethoxy)phenyl]pyrazole (CID 19587497) is 4-chloro-1-(2-chlorophenyl)-3,5-bis[4-(difluoromethoxy)phenyl]pyrazole.
What is the SMILES notation for 4-chloro-1-(2-chlorophenyl)-3,5-bis[4-(difluoromethoxy)phenyl]pyrazole?
The canonical SMILES for 4-chloro-1-(2-chlorophenyl)-3,5-bis[4-(difluoromethoxy)phenyl]pyrazole is FC(F)Oc1ccc(-c2nn(-c3ccccc3Cl)c(-c3ccc(OC(F)F)cc3)c2Cl)cc1.
What is the InChIKey of 4-chloro-1-(2-chlorophenyl)-3,5-bis[4-(difluoromethoxy)phenyl]pyrazole?
The InChIKey is UQXDUGJLROTHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14Cl2F4N2O2/c24-17-3-1-2-4-18(17)31-21(14-7-11-16(12-8-14)33-23(28)29)19(25)20(30-31)13-5-9-15(10-6-13)32-22(26)27/h1-12,22-23H.
What are the key properties of 4-chloro-1-(2-chlorophenyl)-3,5-bis[4-(difluoromethoxy)phenyl]pyrazole?
4-chloro-1-(2-chlorophenyl)-3,5-bis[4-(difluoromethoxy)phenyl]pyrazole has a molecular weight of 497.28 g/mol, XLogP of 7.72, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(2-chlorophenyl)-3,5-bis[4-(difluoromethoxy)phenyl]pyrazole is sourced from PubChem (CID 19587497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).