1-(4-chlorophenyl)-3-(difluoromethyl)-5-(3-fluoro-4-methoxyphenyl)pyrazole

C17H12ClF3N2O — CID 10020931

IUPAC1-(4-chlorophenyl)-3-(difluoromethyl)-5-(3-fluoro-4-methoxyphenyl)pyrazole
SMILESCOc1ccc(-c2cc(C(F)F)nn2-c2ccc(Cl)cc2)cc1F
InChIInChI=1S/C17H12ClF3N2O/c1-24-16-7-2-10(8-13(16)19)15-9-14(17(20)21)22-23(15)12-5-3-11(18)4-6-12/h2-9,17H,1H3
InChIKeyBNZSVWGUIFFDKO-UHFFFAOYSA-N
MW352.74 g/mol
LogP5.28
Rot. Bonds4

About 1-(4-chlorophenyl)-3-(difluoromethyl)-5-(3-fluoro-4-methoxyphenyl)pyrazole

1-(4-chlorophenyl)-3-(difluoromethyl)-5-(3-fluoro-4-methoxyphenyl)pyrazole (PubChem CID 10020931) has the molecular formula C17H12ClF3N2O and a molecular weight of 352.74 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(difluoromethyl)-5-(3-fluoro-4-methoxyphenyl)pyrazole.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(difluoromethyl)-5-(3-fluoro-4-methoxyphenyl)pyrazole
PubChem CID10020931
Molecular FormulaC17H12ClF3N2O
Molecular Weight352.74 g/mol
Exact Mass352.06
IUPAC Name1-(4-chlorophenyl)-3-(difluoromethyl)-5-(3-fluoro-4-methoxyphenyl)pyrazole
SMILESCOc1ccc(-c2cc(C(F)F)nn2-c2ccc(Cl)cc2)cc1F
InChIInChI=1S/C17H12ClF3N2O/c1-24-16-7-2-10(8-13(16)19)15-9-14(17(20)21)22-23(15)12-5-3-11(18)4-6-12/h2-9,17H,1H3
InChIKeyBNZSVWGUIFFDKO-UHFFFAOYSA-N
XLogP5.28
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.74
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(difluoromethyl)-5-(3-fluoro-4-methoxyphenyl)pyrazole?
The IUPAC name of 1-(4-chlorophenyl)-3-(difluoromethyl)-5-(3-fluoro-4-methoxyphenyl)pyrazole (CID 10020931) is 1-(4-chlorophenyl)-3-(difluoromethyl)-5-(3-fluoro-4-methoxyphenyl)pyrazole.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(difluoromethyl)-5-(3-fluoro-4-methoxyphenyl)pyrazole?
The canonical SMILES for 1-(4-chlorophenyl)-3-(difluoromethyl)-5-(3-fluoro-4-methoxyphenyl)pyrazole is COc1ccc(-c2cc(C(F)F)nn2-c2ccc(Cl)cc2)cc1F.
What is the InChIKey of 1-(4-chlorophenyl)-3-(difluoromethyl)-5-(3-fluoro-4-methoxyphenyl)pyrazole?
The InChIKey is BNZSVWGUIFFDKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClF3N2O/c1-24-16-7-2-10(8-13(16)19)15-9-14(17(20)21)22-23(15)12-5-3-11(18)4-6-12/h2-9,17H,1H3.
What are the key properties of 1-(4-chlorophenyl)-3-(difluoromethyl)-5-(3-fluoro-4-methoxyphenyl)pyrazole?
1-(4-chlorophenyl)-3-(difluoromethyl)-5-(3-fluoro-4-methoxyphenyl)pyrazole has a molecular weight of 352.74 g/mol, XLogP of 5.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(difluoromethyl)-5-(3-fluoro-4-methoxyphenyl)pyrazole is sourced from PubChem (CID 10020931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).