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

C9H7F3N2O — CID 66582985

IUPAC3-(furan-2-yl)-1-methyl-5-(trifluoromethyl)pyrazole
SMILESCn1nc(-c2ccco2)cc1C(F)(F)F
InChIInChI=1S/C9H7F3N2O/c1-14-8(9(10,11)12)5-6(13-14)7-3-2-4-15-7/h2-5H,1H3
InChIKeyZFSAILNPAQQSSJ-UHFFFAOYSA-N
MW216.16 g/mol
LogP2.70
Rot. Bonds1

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

3-(furan-2-yl)-1-methyl-5-(trifluoromethyl)pyrazole (PubChem CID 66582985) has the molecular formula C9H7F3N2O and a molecular weight of 216.16 g/mol. Its IUPAC name is 3-(furan-2-yl)-1-methyl-5-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name3-(furan-2-yl)-1-methyl-5-(trifluoromethyl)pyrazole
PubChem CID66582985
Molecular FormulaC9H7F3N2O
Molecular Weight216.16 g/mol
Exact Mass216.05
IUPAC Name3-(furan-2-yl)-1-methyl-5-(trifluoromethyl)pyrazole
SMILESCn1nc(-c2ccco2)cc1C(F)(F)F
InChIInChI=1S/C9H7F3N2O/c1-14-8(9(10,11)12)5-6(13-14)7-3-2-4-15-7/h2-5H,1H3
InChIKeyZFSAILNPAQQSSJ-UHFFFAOYSA-N
XLogP2.70
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.16
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-1-methyl-5-(trifluoromethyl)pyrazole?
The IUPAC name of 3-(furan-2-yl)-1-methyl-5-(trifluoromethyl)pyrazole (CID 66582985) is 3-(furan-2-yl)-1-methyl-5-(trifluoromethyl)pyrazole.
What is the SMILES notation for 3-(furan-2-yl)-1-methyl-5-(trifluoromethyl)pyrazole?
The canonical SMILES for 3-(furan-2-yl)-1-methyl-5-(trifluoromethyl)pyrazole is Cn1nc(-c2ccco2)cc1C(F)(F)F.
What is the InChIKey of 3-(furan-2-yl)-1-methyl-5-(trifluoromethyl)pyrazole?
The InChIKey is ZFSAILNPAQQSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N2O/c1-14-8(9(10,11)12)5-6(13-14)7-3-2-4-15-7/h2-5H,1H3.
What are the key properties of 3-(furan-2-yl)-1-methyl-5-(trifluoromethyl)pyrazole?
3-(furan-2-yl)-1-methyl-5-(trifluoromethyl)pyrazole has a molecular weight of 216.16 g/mol, XLogP of 2.70, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-1-methyl-5-(trifluoromethyl)pyrazole is sourced from PubChem (CID 66582985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).