3-(furan-2-yl)-5-(trifluoromethyl)-1H-pyrazole

C8H5F3N2O — CID 12007125

IUPAC3-(furan-2-yl)-5-(trifluoromethyl)-1H-pyrazole
SMILESFC(F)(F)c1cc(-c2ccco2)n[nH]1
InChIInChI=1S/C8H5F3N2O/c9-8(10,11)7-4-5(12-13-7)6-2-1-3-14-6/h1-4H,(H,12,13)
InChIKeyWLHBEPWHYFFYHR-UHFFFAOYSA-N
MW202.14 g/mol
LogP2.69
Rot. Bonds1

About 3-(furan-2-yl)-5-(trifluoromethyl)-1H-pyrazole

3-(furan-2-yl)-5-(trifluoromethyl)-1H-pyrazole (PubChem CID 12007125) has the molecular formula C8H5F3N2O and a molecular weight of 202.14 g/mol. Its IUPAC name is 3-(furan-2-yl)-5-(trifluoromethyl)-1H-pyrazole.

Molecular Properties

Compound Name3-(furan-2-yl)-5-(trifluoromethyl)-1H-pyrazole
PubChem CID12007125
Molecular FormulaC8H5F3N2O
Molecular Weight202.14 g/mol
Exact Mass202.04
IUPAC Name3-(furan-2-yl)-5-(trifluoromethyl)-1H-pyrazole
SMILESFC(F)(F)c1cc(-c2ccco2)n[nH]1
InChIInChI=1S/C8H5F3N2O/c9-8(10,11)7-4-5(12-13-7)6-2-1-3-14-6/h1-4H,(H,12,13)
InChIKeyWLHBEPWHYFFYHR-UHFFFAOYSA-N
XLogP2.69
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.14
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(furan-2-yl)-5-(trifluoromethyl)-1H-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 3-(furan-2-yl)-5-(trifluoromethyl)-1H-pyrazole?
The IUPAC name of 3-(furan-2-yl)-5-(trifluoromethyl)-1H-pyrazole (CID 12007125) is 3-(furan-2-yl)-5-(trifluoromethyl)-1H-pyrazole.
What is the SMILES notation for 3-(furan-2-yl)-5-(trifluoromethyl)-1H-pyrazole?
The canonical SMILES for 3-(furan-2-yl)-5-(trifluoromethyl)-1H-pyrazole is FC(F)(F)c1cc(-c2ccco2)n[nH]1.
What is the InChIKey of 3-(furan-2-yl)-5-(trifluoromethyl)-1H-pyrazole?
The InChIKey is WLHBEPWHYFFYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N2O/c9-8(10,11)7-4-5(12-13-7)6-2-1-3-14-6/h1-4H,(H,12,13).
What are the key properties of 3-(furan-2-yl)-5-(trifluoromethyl)-1H-pyrazole?
3-(furan-2-yl)-5-(trifluoromethyl)-1H-pyrazole has a molecular weight of 202.14 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-5-(trifluoromethyl)-1H-pyrazole is sourced from PubChem (CID 12007125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).