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

C10H9F3N2O — CID 70851896

IUPAC1-ethyl-5-(furan-2-yl)-3-(trifluoromethyl)pyrazole
SMILESCCn1nc(C(F)(F)F)cc1-c1ccco1
InChIInChI=1S/C10H9F3N2O/c1-2-15-7(8-4-3-5-16-8)6-9(14-15)10(11,12)13/h3-6H,2H2,1H3
InChIKeyIDILWINYHPNTPF-UHFFFAOYSA-N
MW230.19 g/mol
LogP3.18
Rot. Bonds2

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

1-ethyl-5-(furan-2-yl)-3-(trifluoromethyl)pyrazole (PubChem CID 70851896) has the molecular formula C10H9F3N2O and a molecular weight of 230.19 g/mol. Its IUPAC name is 1-ethyl-5-(furan-2-yl)-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-ethyl-5-(furan-2-yl)-3-(trifluoromethyl)pyrazole
PubChem CID70851896
Molecular FormulaC10H9F3N2O
Molecular Weight230.19 g/mol
Exact Mass230.07
IUPAC Name1-ethyl-5-(furan-2-yl)-3-(trifluoromethyl)pyrazole
SMILESCCn1nc(C(F)(F)F)cc1-c1ccco1
InChIInChI=1S/C10H9F3N2O/c1-2-15-7(8-4-3-5-16-8)6-9(14-15)10(11,12)13/h3-6H,2H2,1H3
InChIKeyIDILWINYHPNTPF-UHFFFAOYSA-N
XLogP3.18
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 ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-ethyl-5-(furan-2-yl)-3-(trifluoromethyl)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 1-ethyl-5-(furan-2-yl)-3-(trifluoromethyl)pyrazole?
The IUPAC name of 1-ethyl-5-(furan-2-yl)-3-(trifluoromethyl)pyrazole (CID 70851896) is 1-ethyl-5-(furan-2-yl)-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-ethyl-5-(furan-2-yl)-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-ethyl-5-(furan-2-yl)-3-(trifluoromethyl)pyrazole is CCn1nc(C(F)(F)F)cc1-c1ccco1.
What is the InChIKey of 1-ethyl-5-(furan-2-yl)-3-(trifluoromethyl)pyrazole?
The InChIKey is IDILWINYHPNTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O/c1-2-15-7(8-4-3-5-16-8)6-9(14-15)10(11,12)13/h3-6H,2H2,1H3.
What are the key properties of 1-ethyl-5-(furan-2-yl)-3-(trifluoromethyl)pyrazole?
1-ethyl-5-(furan-2-yl)-3-(trifluoromethyl)pyrazole has a molecular weight of 230.19 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-(furan-2-yl)-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 70851896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).