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

C14H12F2N4O — CID 118864325

IUPAC4-[3-(difluoromethoxy)phenyl]-1-(1H-pyrazol-5-ylmethyl)pyrazole
SMILESFC(F)Oc1cccc(-c2cnn(Cc3ccn[nH]3)c2)c1
InChIInChI=1S/C14H12F2N4O/c15-14(16)21-13-3-1-2-10(6-13)11-7-18-20(8-11)9-12-4-5-17-19-12/h1-8,14H,9H2,(H,17,19)
InChIKeyCIMZHFATSQYFET-UHFFFAOYSA-N
MW290.27 g/mol
LogP2.92
Rot. Bonds5

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

4-[3-(difluoromethoxy)phenyl]-1-(1H-pyrazol-5-ylmethyl)pyrazole (PubChem CID 118864325) has the molecular formula C14H12F2N4O and a molecular weight of 290.27 g/mol. Its IUPAC name is 4-[3-(difluoromethoxy)phenyl]-1-(1H-pyrazol-5-ylmethyl)pyrazole.

Molecular Properties

Compound Name4-[3-(difluoromethoxy)phenyl]-1-(1H-pyrazol-5-ylmethyl)pyrazole
PubChem CID118864325
Molecular FormulaC14H12F2N4O
Molecular Weight290.27 g/mol
Exact Mass290.10
IUPAC Name4-[3-(difluoromethoxy)phenyl]-1-(1H-pyrazol-5-ylmethyl)pyrazole
SMILESFC(F)Oc1cccc(-c2cnn(Cc3ccn[nH]3)c2)c1
InChIInChI=1S/C14H12F2N4O/c15-14(16)21-13-3-1-2-10(6-13)11-7-18-20(8-11)9-12-4-5-17-19-12/h1-8,14H,9H2,(H,17,19)
InChIKeyCIMZHFATSQYFET-UHFFFAOYSA-N
XLogP2.92
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[3-(difluoromethoxy)phenyl]-1-(1H-pyrazol-5-ylmethyl)pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[3-(difluoromethoxy)phenyl]-1-(1H-pyrazol-5-ylmethyl)pyrazole?
The IUPAC name of 4-[3-(difluoromethoxy)phenyl]-1-(1H-pyrazol-5-ylmethyl)pyrazole (CID 118864325) is 4-[3-(difluoromethoxy)phenyl]-1-(1H-pyrazol-5-ylmethyl)pyrazole.
What is the SMILES notation for 4-[3-(difluoromethoxy)phenyl]-1-(1H-pyrazol-5-ylmethyl)pyrazole?
The canonical SMILES for 4-[3-(difluoromethoxy)phenyl]-1-(1H-pyrazol-5-ylmethyl)pyrazole is FC(F)Oc1cccc(-c2cnn(Cc3ccn[nH]3)c2)c1.
What is the InChIKey of 4-[3-(difluoromethoxy)phenyl]-1-(1H-pyrazol-5-ylmethyl)pyrazole?
The InChIKey is CIMZHFATSQYFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N4O/c15-14(16)21-13-3-1-2-10(6-13)11-7-18-20(8-11)9-12-4-5-17-19-12/h1-8,14H,9H2,(H,17,19).
What are the key properties of 4-[3-(difluoromethoxy)phenyl]-1-(1H-pyrazol-5-ylmethyl)pyrazole?
4-[3-(difluoromethoxy)phenyl]-1-(1H-pyrazol-5-ylmethyl)pyrazole has a molecular weight of 290.27 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(difluoromethoxy)phenyl]-1-(1H-pyrazol-5-ylmethyl)pyrazole is sourced from PubChem (CID 118864325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).