5-(furan-2-yl)-1-methyl-3-(2,2,2-trifluoroethyl)pyrazole

C10H9F3N2O — CID 25137214

IUPAC5-(furan-2-yl)-1-methyl-3-(2,2,2-trifluoroethyl)pyrazole
SMILESCn1nc(CC(F)(F)F)cc1-c1ccco1
InChIInChI=1S/C10H9F3N2O/c1-15-8(9-3-2-4-16-9)5-7(14-15)6-10(11,12)13/h2-5H,6H2,1H3
InChIKeyAWITZYYKADTFCV-UHFFFAOYSA-N
MW230.19 g/mol
LogP2.78
Rot. Bonds2

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

5-(furan-2-yl)-1-methyl-3-(2,2,2-trifluoroethyl)pyrazole (PubChem CID 25137214) has the molecular formula C10H9F3N2O and a molecular weight of 230.19 g/mol. Its IUPAC name is 5-(furan-2-yl)-1-methyl-3-(2,2,2-trifluoroethyl)pyrazole.

Molecular Properties

Compound Name5-(furan-2-yl)-1-methyl-3-(2,2,2-trifluoroethyl)pyrazole
PubChem CID25137214
Molecular FormulaC10H9F3N2O
Molecular Weight230.19 g/mol
Exact Mass230.07
IUPAC Name5-(furan-2-yl)-1-methyl-3-(2,2,2-trifluoroethyl)pyrazole
SMILESCn1nc(CC(F)(F)F)cc1-c1ccco1
InChIInChI=1S/C10H9F3N2O/c1-15-8(9-3-2-4-16-9)5-7(14-15)6-10(11,12)13/h2-5H,6H2,1H3
InChIKeyAWITZYYKADTFCV-UHFFFAOYSA-N
XLogP2.78
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.19
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-1-methyl-3-(2,2,2-trifluoroethyl)pyrazole?
The IUPAC name of 5-(furan-2-yl)-1-methyl-3-(2,2,2-trifluoroethyl)pyrazole (CID 25137214) is 5-(furan-2-yl)-1-methyl-3-(2,2,2-trifluoroethyl)pyrazole.
What is the SMILES notation for 5-(furan-2-yl)-1-methyl-3-(2,2,2-trifluoroethyl)pyrazole?
The canonical SMILES for 5-(furan-2-yl)-1-methyl-3-(2,2,2-trifluoroethyl)pyrazole is Cn1nc(CC(F)(F)F)cc1-c1ccco1.
What is the InChIKey of 5-(furan-2-yl)-1-methyl-3-(2,2,2-trifluoroethyl)pyrazole?
The InChIKey is AWITZYYKADTFCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O/c1-15-8(9-3-2-4-16-9)5-7(14-15)6-10(11,12)13/h2-5H,6H2,1H3.
What are the key properties of 5-(furan-2-yl)-1-methyl-3-(2,2,2-trifluoroethyl)pyrazole?
5-(furan-2-yl)-1-methyl-3-(2,2,2-trifluoroethyl)pyrazole has a molecular weight of 230.19 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-1-methyl-3-(2,2,2-trifluoroethyl)pyrazole is sourced from PubChem (CID 25137214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).