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

C23H15ClF4N2O2 — CID 19587302

IUPAC1-(4-chlorophenyl)-3,5-bis[3-(difluoromethoxy)phenyl]pyrazole
SMILESFC(F)Oc1cccc(-c2cc(-c3cccc(OC(F)F)c3)n(-c3ccc(Cl)cc3)n2)c1
InChIInChI=1S/C23H15ClF4N2O2/c24-16-7-9-17(10-8-16)30-21(15-4-2-6-19(12-15)32-23(27)28)13-20(29-30)14-3-1-5-18(11-14)31-22(25)26/h1-13,22-23H
InChIKeyGIVZWWHUSABRSN-UHFFFAOYSA-N
MW462.83 g/mol
LogP7.06
Rot. Bonds7

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

1-(4-chlorophenyl)-3,5-bis[3-(difluoromethoxy)phenyl]pyrazole (PubChem CID 19587302) has the molecular formula C23H15ClF4N2O2 and a molecular weight of 462.83 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3,5-bis[3-(difluoromethoxy)phenyl]pyrazole.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3,5-bis[3-(difluoromethoxy)phenyl]pyrazole
PubChem CID19587302
Molecular FormulaC23H15ClF4N2O2
Molecular Weight462.83 g/mol
Exact Mass462.08
IUPAC Name1-(4-chlorophenyl)-3,5-bis[3-(difluoromethoxy)phenyl]pyrazole
SMILESFC(F)Oc1cccc(-c2cc(-c3cccc(OC(F)F)c3)n(-c3ccc(Cl)cc3)n2)c1
InChIInChI=1S/C23H15ClF4N2O2/c24-16-7-9-17(10-8-16)30-21(15-4-2-6-19(12-15)32-23(27)28)13-20(29-30)14-3-1-5-18(11-14)31-22(25)26/h1-13,22-23H
InChIKeyGIVZWWHUSABRSN-UHFFFAOYSA-N
XLogP7.06
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.83
LogP ≤ 57.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3,5-bis[3-(difluoromethoxy)phenyl]pyrazole?
The IUPAC name of 1-(4-chlorophenyl)-3,5-bis[3-(difluoromethoxy)phenyl]pyrazole (CID 19587302) is 1-(4-chlorophenyl)-3,5-bis[3-(difluoromethoxy)phenyl]pyrazole.
What is the SMILES notation for 1-(4-chlorophenyl)-3,5-bis[3-(difluoromethoxy)phenyl]pyrazole?
The canonical SMILES for 1-(4-chlorophenyl)-3,5-bis[3-(difluoromethoxy)phenyl]pyrazole is FC(F)Oc1cccc(-c2cc(-c3cccc(OC(F)F)c3)n(-c3ccc(Cl)cc3)n2)c1.
What is the InChIKey of 1-(4-chlorophenyl)-3,5-bis[3-(difluoromethoxy)phenyl]pyrazole?
The InChIKey is GIVZWWHUSABRSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClF4N2O2/c24-16-7-9-17(10-8-16)30-21(15-4-2-6-19(12-15)32-23(27)28)13-20(29-30)14-3-1-5-18(11-14)31-22(25)26/h1-13,22-23H.
What are the key properties of 1-(4-chlorophenyl)-3,5-bis[3-(difluoromethoxy)phenyl]pyrazole?
1-(4-chlorophenyl)-3,5-bis[3-(difluoromethoxy)phenyl]pyrazole has a molecular weight of 462.83 g/mol, XLogP of 7.06, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3,5-bis[3-(difluoromethoxy)phenyl]pyrazole is sourced from PubChem (CID 19587302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).