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

C23H15ClF4N2O2 — CID 19586959

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

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

1-(3-chlorophenyl)-3,5-bis[3-(difluoromethoxy)phenyl]pyrazole (PubChem CID 19586959) has the molecular formula C23H15ClF4N2O2 and a molecular weight of 462.83 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3,5-bis[3-(difluoromethoxy)phenyl]pyrazole.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3,5-bis[3-(difluoromethoxy)phenyl]pyrazole
PubChem CID19586959
Molecular FormulaC23H15ClF4N2O2
Molecular Weight462.83 g/mol
Exact Mass462.08
IUPAC Name1-(3-chlorophenyl)-3,5-bis[3-(difluoromethoxy)phenyl]pyrazole
SMILESFC(F)Oc1cccc(-c2cc(-c3cccc(OC(F)F)c3)n(-c3cccc(Cl)c3)n2)c1
InChIInChI=1S/C23H15ClF4N2O2/c24-16-6-3-7-17(12-16)30-21(15-5-2-9-19(11-15)32-23(27)28)13-20(29-30)14-4-1-8-18(10-14)31-22(25)26/h1-13,22-23H
InChIKeyUFRJCNBWJGBENQ-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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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)-3-[(2R,6S)-2,6-dimethyloxan-4-yl]-1-(2-methoxyphenyl)pyrazole
CID 73291875
5-(4-chlorophenyl)-1-(2-methoxyphenyl)-3-(2,2,6,6-tetramethyl-3H-pyran-4-yl)pyrazole
CID 73293983
5-(4-chlorophenyl)-1-(2-methoxyphenyl)-3-[(2S,4R)-2-propan-2-yloxan-4-yl]pyrazole
CID 73294550
5-(4-chlorophenyl)-1-(2-methoxyphenyl)-3-[(2R,4R)-2-propan-2-yloxan-4-yl]pyrazole
CID 90040082
5-(4-chlorophenyl)-3-[(2S,6S)-2,6-dimethyloxan-4-yl]-1-(2-methoxyphenyl)pyrazole
CID 90200902
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

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3,5-bis[3-(difluoromethoxy)phenyl]pyrazole?
The IUPAC name of 1-(3-chlorophenyl)-3,5-bis[3-(difluoromethoxy)phenyl]pyrazole (CID 19586959) is 1-(3-chlorophenyl)-3,5-bis[3-(difluoromethoxy)phenyl]pyrazole.
What is the SMILES notation for 1-(3-chlorophenyl)-3,5-bis[3-(difluoromethoxy)phenyl]pyrazole?
The canonical SMILES for 1-(3-chlorophenyl)-3,5-bis[3-(difluoromethoxy)phenyl]pyrazole is FC(F)Oc1cccc(-c2cc(-c3cccc(OC(F)F)c3)n(-c3cccc(Cl)c3)n2)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3,5-bis[3-(difluoromethoxy)phenyl]pyrazole?
The InChIKey is UFRJCNBWJGBENQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClF4N2O2/c24-16-6-3-7-17(12-16)30-21(15-5-2-9-19(11-15)32-23(27)28)13-20(29-30)14-4-1-8-18(10-14)31-22(25)26/h1-13,22-23H.
What are the key properties of 1-(3-chlorophenyl)-3,5-bis[3-(difluoromethoxy)phenyl]pyrazole?
1-(3-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-(3-chlorophenyl)-3,5-bis[3-(difluoromethoxy)phenyl]pyrazole is sourced from PubChem (CID 19586959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).