4-(cyclopenten-1-yl)-1-ethyl-3-(trifluoromethyl)pyrazole

C11H13F3N2 — CID 118357671

IUPAC4-(cyclopenten-1-yl)-1-ethyl-3-(trifluoromethyl)pyrazole
SMILESCCn1cc(C2=CCCC2)c(C(F)(F)F)n1
InChIInChI=1S/C11H13F3N2/c1-2-16-7-9(8-5-3-4-6-8)10(15-16)11(12,13)14/h5,7H,2-4,6H2,1H3
InChIKeyOTVMYFIMUKNDBB-UHFFFAOYSA-N
MW230.23 g/mol
LogP3.49
Rot. Bonds2

About 4-(cyclopenten-1-yl)-1-ethyl-3-(trifluoromethyl)pyrazole

4-(cyclopenten-1-yl)-1-ethyl-3-(trifluoromethyl)pyrazole (PubChem CID 118357671) has the molecular formula C11H13F3N2 and a molecular weight of 230.23 g/mol. Its IUPAC name is 4-(cyclopenten-1-yl)-1-ethyl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name4-(cyclopenten-1-yl)-1-ethyl-3-(trifluoromethyl)pyrazole
PubChem CID118357671
Molecular FormulaC11H13F3N2
Molecular Weight230.23 g/mol
Exact Mass230.10
IUPAC Name4-(cyclopenten-1-yl)-1-ethyl-3-(trifluoromethyl)pyrazole
SMILESCCn1cc(C2=CCCC2)c(C(F)(F)F)n1
InChIInChI=1S/C11H13F3N2/c1-2-16-7-9(8-5-3-4-6-8)10(15-16)11(12,13)14/h5,7H,2-4,6H2,1H3
InChIKeyOTVMYFIMUKNDBB-UHFFFAOYSA-N
XLogP3.49
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopenten-1-yl)-1-ethyl-3-(trifluoromethyl)pyrazole?
The IUPAC name of 4-(cyclopenten-1-yl)-1-ethyl-3-(trifluoromethyl)pyrazole (CID 118357671) is 4-(cyclopenten-1-yl)-1-ethyl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 4-(cyclopenten-1-yl)-1-ethyl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 4-(cyclopenten-1-yl)-1-ethyl-3-(trifluoromethyl)pyrazole is CCn1cc(C2=CCCC2)c(C(F)(F)F)n1.
What is the InChIKey of 4-(cyclopenten-1-yl)-1-ethyl-3-(trifluoromethyl)pyrazole?
The InChIKey is OTVMYFIMUKNDBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2/c1-2-16-7-9(8-5-3-4-6-8)10(15-16)11(12,13)14/h5,7H,2-4,6H2,1H3.
What are the key properties of 4-(cyclopenten-1-yl)-1-ethyl-3-(trifluoromethyl)pyrazole?
4-(cyclopenten-1-yl)-1-ethyl-3-(trifluoromethyl)pyrazole has a molecular weight of 230.23 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopenten-1-yl)-1-ethyl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 118357671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).