4-[1-[[4-(difluoromethoxy)phenyl]methyl]-3-(4-fluorophenyl)pyrazol-4-yl]pyridine

C22H16F3N3O — CID 67107466

IUPAC4-[1-[[4-(difluoromethoxy)phenyl]methyl]-3-(4-fluorophenyl)pyrazol-4-yl]pyridine
SMILESFc1ccc(-c2nn(Cc3ccc(OC(F)F)cc3)cc2-c2ccncc2)cc1
InChIInChI=1S/C22H16F3N3O/c23-18-5-3-17(4-6-18)21-20(16-9-11-26-12-10-16)14-28(27-21)13-15-1-7-19(8-2-15)29-22(24)25/h1-12,14,22H,13H2
InChIKeyFMRZVWLMGSBIMP-UHFFFAOYSA-N
MW395.38 g/mol
LogP5.40
Rot. Bonds6

About 4-[1-[[4-(difluoromethoxy)phenyl]methyl]-3-(4-fluorophenyl)pyrazol-4-yl]pyridine

4-[1-[[4-(difluoromethoxy)phenyl]methyl]-3-(4-fluorophenyl)pyrazol-4-yl]pyridine (PubChem CID 67107466) has the molecular formula C22H16F3N3O and a molecular weight of 395.38 g/mol. Its IUPAC name is 4-[1-[[4-(difluoromethoxy)phenyl]methyl]-3-(4-fluorophenyl)pyrazol-4-yl]pyridine.

Molecular Properties

Compound Name4-[1-[[4-(difluoromethoxy)phenyl]methyl]-3-(4-fluorophenyl)pyrazol-4-yl]pyridine
PubChem CID67107466
Molecular FormulaC22H16F3N3O
Molecular Weight395.38 g/mol
Exact Mass395.12
IUPAC Name4-[1-[[4-(difluoromethoxy)phenyl]methyl]-3-(4-fluorophenyl)pyrazol-4-yl]pyridine
SMILESFc1ccc(-c2nn(Cc3ccc(OC(F)F)cc3)cc2-c2ccncc2)cc1
InChIInChI=1S/C22H16F3N3O/c23-18-5-3-17(4-6-18)21-20(16-9-11-26-12-10-16)14-28(27-21)13-15-1-7-19(8-2-15)29-22(24)25/h1-12,14,22H,13H2
InChIKeyFMRZVWLMGSBIMP-UHFFFAOYSA-N
XLogP5.40
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.38
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[[4-(difluoromethoxy)phenyl]methyl]-3-(4-fluorophenyl)pyrazol-4-yl]pyridine?
The IUPAC name of 4-[1-[[4-(difluoromethoxy)phenyl]methyl]-3-(4-fluorophenyl)pyrazol-4-yl]pyridine (CID 67107466) is 4-[1-[[4-(difluoromethoxy)phenyl]methyl]-3-(4-fluorophenyl)pyrazol-4-yl]pyridine.
What is the SMILES notation for 4-[1-[[4-(difluoromethoxy)phenyl]methyl]-3-(4-fluorophenyl)pyrazol-4-yl]pyridine?
The canonical SMILES for 4-[1-[[4-(difluoromethoxy)phenyl]methyl]-3-(4-fluorophenyl)pyrazol-4-yl]pyridine is Fc1ccc(-c2nn(Cc3ccc(OC(F)F)cc3)cc2-c2ccncc2)cc1.
What is the InChIKey of 4-[1-[[4-(difluoromethoxy)phenyl]methyl]-3-(4-fluorophenyl)pyrazol-4-yl]pyridine?
The InChIKey is FMRZVWLMGSBIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3N3O/c23-18-5-3-17(4-6-18)21-20(16-9-11-26-12-10-16)14-28(27-21)13-15-1-7-19(8-2-15)29-22(24)25/h1-12,14,22H,13H2.
What are the key properties of 4-[1-[[4-(difluoromethoxy)phenyl]methyl]-3-(4-fluorophenyl)pyrazol-4-yl]pyridine?
4-[1-[[4-(difluoromethoxy)phenyl]methyl]-3-(4-fluorophenyl)pyrazol-4-yl]pyridine has a molecular weight of 395.38 g/mol, XLogP of 5.40, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[[4-(difluoromethoxy)phenyl]methyl]-3-(4-fluorophenyl)pyrazol-4-yl]pyridine is sourced from PubChem (CID 67107466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).