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

C17H13ClF2N2O — CID 11724472

IUPAC5-(4-chlorophenyl)-3-(difluoromethyl)-1-(4-methoxyphenyl)pyrazole
SMILESCOc1ccc(-n2nc(C(F)F)cc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H13ClF2N2O/c1-23-14-8-6-13(7-9-14)22-16(10-15(21-22)17(19)20)11-2-4-12(18)5-3-11/h2-10,17H,1H3
InChIKeyHLFBLXKAYCEQED-UHFFFAOYSA-N
MW334.75 g/mol
LogP5.14
Rot. Bonds4

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

5-(4-chlorophenyl)-3-(difluoromethyl)-1-(4-methoxyphenyl)pyrazole (PubChem CID 11724472) has the molecular formula C17H13ClF2N2O and a molecular weight of 334.75 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-(difluoromethyl)-1-(4-methoxyphenyl)pyrazole.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3-(difluoromethyl)-1-(4-methoxyphenyl)pyrazole
PubChem CID11724472
Molecular FormulaC17H13ClF2N2O
Molecular Weight334.75 g/mol
Exact Mass334.07
IUPAC Name5-(4-chlorophenyl)-3-(difluoromethyl)-1-(4-methoxyphenyl)pyrazole
SMILESCOc1ccc(-n2nc(C(F)F)cc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H13ClF2N2O/c1-23-14-8-6-13(7-9-14)22-16(10-15(21-22)17(19)20)11-2-4-12(18)5-3-11/h2-10,17H,1H3
InChIKeyHLFBLXKAYCEQED-UHFFFAOYSA-N
XLogP5.14
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.75
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-3-(difluoromethyl)-1-(4-methoxyphenyl)pyrazole?
The IUPAC name of 5-(4-chlorophenyl)-3-(difluoromethyl)-1-(4-methoxyphenyl)pyrazole (CID 11724472) is 5-(4-chlorophenyl)-3-(difluoromethyl)-1-(4-methoxyphenyl)pyrazole.
What is the SMILES notation for 5-(4-chlorophenyl)-3-(difluoromethyl)-1-(4-methoxyphenyl)pyrazole?
The canonical SMILES for 5-(4-chlorophenyl)-3-(difluoromethyl)-1-(4-methoxyphenyl)pyrazole is COc1ccc(-n2nc(C(F)F)cc2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-3-(difluoromethyl)-1-(4-methoxyphenyl)pyrazole?
The InChIKey is HLFBLXKAYCEQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClF2N2O/c1-23-14-8-6-13(7-9-14)22-16(10-15(21-22)17(19)20)11-2-4-12(18)5-3-11/h2-10,17H,1H3.
What are the key properties of 5-(4-chlorophenyl)-3-(difluoromethyl)-1-(4-methoxyphenyl)pyrazole?
5-(4-chlorophenyl)-3-(difluoromethyl)-1-(4-methoxyphenyl)pyrazole has a molecular weight of 334.75 g/mol, XLogP of 5.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-3-(difluoromethyl)-1-(4-methoxyphenyl)pyrazole is sourced from PubChem (CID 11724472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).