4-[3-(difluoromethoxy)-4-fluorophenyl]-1-[(1-methylpyrazol-4-yl)methyl]pyrazole

C15H13F3N4O — CID 118864400

IUPAC4-[3-(difluoromethoxy)-4-fluorophenyl]-1-[(1-methylpyrazol-4-yl)methyl]pyrazole
SMILESCn1cc(Cn2cc(-c3ccc(F)c(OC(F)F)c3)cn2)cn1
InChIInChI=1S/C15H13F3N4O/c1-21-7-10(5-19-21)8-22-9-12(6-20-22)11-2-3-13(16)14(4-11)23-15(17)18/h2-7,9,15H,8H2,1H3
InChIKeyWTJLEJBVIDJMFC-UHFFFAOYSA-N
MW322.29 g/mol
LogP3.07
Rot. Bonds5

About 4-[3-(difluoromethoxy)-4-fluorophenyl]-1-[(1-methylpyrazol-4-yl)methyl]pyrazole

4-[3-(difluoromethoxy)-4-fluorophenyl]-1-[(1-methylpyrazol-4-yl)methyl]pyrazole (PubChem CID 118864400) has the molecular formula C15H13F3N4O and a molecular weight of 322.29 g/mol. Its IUPAC name is 4-[3-(difluoromethoxy)-4-fluorophenyl]-1-[(1-methylpyrazol-4-yl)methyl]pyrazole.

Molecular Properties

Compound Name4-[3-(difluoromethoxy)-4-fluorophenyl]-1-[(1-methylpyrazol-4-yl)methyl]pyrazole
PubChem CID118864400
Molecular FormulaC15H13F3N4O
Molecular Weight322.29 g/mol
Exact Mass322.10
IUPAC Name4-[3-(difluoromethoxy)-4-fluorophenyl]-1-[(1-methylpyrazol-4-yl)methyl]pyrazole
SMILESCn1cc(Cn2cc(-c3ccc(F)c(OC(F)F)c3)cn2)cn1
InChIInChI=1S/C15H13F3N4O/c1-21-7-10(5-19-21)8-22-9-12(6-20-22)11-2-3-13(16)14(4-11)23-15(17)18/h2-7,9,15H,8H2,1H3
InChIKeyWTJLEJBVIDJMFC-UHFFFAOYSA-N
XLogP3.07
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.29
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(difluoromethoxy)-4-fluorophenyl]-1-[(1-methylpyrazol-4-yl)methyl]pyrazole?
The IUPAC name of 4-[3-(difluoromethoxy)-4-fluorophenyl]-1-[(1-methylpyrazol-4-yl)methyl]pyrazole (CID 118864400) is 4-[3-(difluoromethoxy)-4-fluorophenyl]-1-[(1-methylpyrazol-4-yl)methyl]pyrazole.
What is the SMILES notation for 4-[3-(difluoromethoxy)-4-fluorophenyl]-1-[(1-methylpyrazol-4-yl)methyl]pyrazole?
The canonical SMILES for 4-[3-(difluoromethoxy)-4-fluorophenyl]-1-[(1-methylpyrazol-4-yl)methyl]pyrazole is Cn1cc(Cn2cc(-c3ccc(F)c(OC(F)F)c3)cn2)cn1.
What is the InChIKey of 4-[3-(difluoromethoxy)-4-fluorophenyl]-1-[(1-methylpyrazol-4-yl)methyl]pyrazole?
The InChIKey is WTJLEJBVIDJMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N4O/c1-21-7-10(5-19-21)8-22-9-12(6-20-22)11-2-3-13(16)14(4-11)23-15(17)18/h2-7,9,15H,8H2,1H3.
What are the key properties of 4-[3-(difluoromethoxy)-4-fluorophenyl]-1-[(1-methylpyrazol-4-yl)methyl]pyrazole?
4-[3-(difluoromethoxy)-4-fluorophenyl]-1-[(1-methylpyrazol-4-yl)methyl]pyrazole has a molecular weight of 322.29 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(difluoromethoxy)-4-fluorophenyl]-1-[(1-methylpyrazol-4-yl)methyl]pyrazole is sourced from PubChem (CID 118864400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).