4-[3-(difluoromethoxy)-4-fluorophenyl]-1-(1H-pyrazol-5-ylmethyl)pyrazole

C14H11F3N4O — CID 118864337

IUPAC4-[3-(difluoromethoxy)-4-fluorophenyl]-1-(1H-pyrazol-5-ylmethyl)pyrazole
SMILESFc1ccc(-c2cnn(Cc3ccn[nH]3)c2)cc1OC(F)F
InChIInChI=1S/C14H11F3N4O/c15-12-2-1-9(5-13(12)22-14(16)17)10-6-19-21(7-10)8-11-3-4-18-20-11/h1-7,14H,8H2,(H,18,20)
InChIKeyLHMLJRCNGQZNHL-UHFFFAOYSA-N
MW308.26 g/mol
LogP3.06
Rot. Bonds5

About 4-[3-(difluoromethoxy)-4-fluorophenyl]-1-(1H-pyrazol-5-ylmethyl)pyrazole

4-[3-(difluoromethoxy)-4-fluorophenyl]-1-(1H-pyrazol-5-ylmethyl)pyrazole (PubChem CID 118864337) has the molecular formula C14H11F3N4O and a molecular weight of 308.26 g/mol. Its IUPAC name is 4-[3-(difluoromethoxy)-4-fluorophenyl]-1-(1H-pyrazol-5-ylmethyl)pyrazole.

Molecular Properties

Compound Name4-[3-(difluoromethoxy)-4-fluorophenyl]-1-(1H-pyrazol-5-ylmethyl)pyrazole
PubChem CID118864337
Molecular FormulaC14H11F3N4O
Molecular Weight308.26 g/mol
Exact Mass308.09
IUPAC Name4-[3-(difluoromethoxy)-4-fluorophenyl]-1-(1H-pyrazol-5-ylmethyl)pyrazole
SMILESFc1ccc(-c2cnn(Cc3ccn[nH]3)c2)cc1OC(F)F
InChIInChI=1S/C14H11F3N4O/c15-12-2-1-9(5-13(12)22-14(16)17)10-6-19-21(7-10)8-11-3-4-18-20-11/h1-7,14H,8H2,(H,18,20)
InChIKeyLHMLJRCNGQZNHL-UHFFFAOYSA-N
XLogP3.06
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.26
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(difluoromethoxy)-4-fluorophenyl]-1-(1H-pyrazol-5-ylmethyl)pyrazole?
The IUPAC name of 4-[3-(difluoromethoxy)-4-fluorophenyl]-1-(1H-pyrazol-5-ylmethyl)pyrazole (CID 118864337) is 4-[3-(difluoromethoxy)-4-fluorophenyl]-1-(1H-pyrazol-5-ylmethyl)pyrazole.
What is the SMILES notation for 4-[3-(difluoromethoxy)-4-fluorophenyl]-1-(1H-pyrazol-5-ylmethyl)pyrazole?
The canonical SMILES for 4-[3-(difluoromethoxy)-4-fluorophenyl]-1-(1H-pyrazol-5-ylmethyl)pyrazole is Fc1ccc(-c2cnn(Cc3ccn[nH]3)c2)cc1OC(F)F.
What is the InChIKey of 4-[3-(difluoromethoxy)-4-fluorophenyl]-1-(1H-pyrazol-5-ylmethyl)pyrazole?
The InChIKey is LHMLJRCNGQZNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N4O/c15-12-2-1-9(5-13(12)22-14(16)17)10-6-19-21(7-10)8-11-3-4-18-20-11/h1-7,14H,8H2,(H,18,20).
What are the key properties of 4-[3-(difluoromethoxy)-4-fluorophenyl]-1-(1H-pyrazol-5-ylmethyl)pyrazole?
4-[3-(difluoromethoxy)-4-fluorophenyl]-1-(1H-pyrazol-5-ylmethyl)pyrazole has a molecular weight of 308.26 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(difluoromethoxy)-4-fluorophenyl]-1-(1H-pyrazol-5-ylmethyl)pyrazole is sourced from PubChem (CID 118864337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).