4-[5-ethyl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1,2-diol

C11H15F3N2O2 — CID 134331572

IUPAC4-[5-ethyl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1,2-diol
SMILESCCc1cc(C(F)(F)F)nn1C1CC(O)C(O)C1
InChIInChI=1S/C11H15F3N2O2/c1-2-6-5-10(11(12,13)14)15-16(6)7-3-8(17)9(18)4-7/h5,7-9,17-18H,2-4H2,1H3
InChIKeyQQYLEPKXJPAOHU-UHFFFAOYSA-N
MW264.25 g/mol
LogP1.52
Rot. Bonds2

About 4-[5-ethyl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1,2-diol

4-[5-ethyl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1,2-diol (PubChem CID 134331572) has the molecular formula C11H15F3N2O2 and a molecular weight of 264.25 g/mol. Its IUPAC name is 4-[5-ethyl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1,2-diol.

Molecular Properties

Compound Name4-[5-ethyl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1,2-diol
PubChem CID134331572
Molecular FormulaC11H15F3N2O2
Molecular Weight264.25 g/mol
Exact Mass264.11
IUPAC Name4-[5-ethyl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1,2-diol
SMILESCCc1cc(C(F)(F)F)nn1C1CC(O)C(O)C1
InChIInChI=1S/C11H15F3N2O2/c1-2-6-5-10(11(12,13)14)15-16(6)7-3-8(17)9(18)4-7/h5,7-9,17-18H,2-4H2,1H3
InChIKeyQQYLEPKXJPAOHU-UHFFFAOYSA-N
XLogP1.52
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-ethyl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1,2-diol?
The IUPAC name of 4-[5-ethyl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1,2-diol (CID 134331572) is 4-[5-ethyl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1,2-diol.
What is the SMILES notation for 4-[5-ethyl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1,2-diol?
The canonical SMILES for 4-[5-ethyl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1,2-diol is CCc1cc(C(F)(F)F)nn1C1CC(O)C(O)C1.
What is the InChIKey of 4-[5-ethyl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1,2-diol?
The InChIKey is QQYLEPKXJPAOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O2/c1-2-6-5-10(11(12,13)14)15-16(6)7-3-8(17)9(18)4-7/h5,7-9,17-18H,2-4H2,1H3.
What are the key properties of 4-[5-ethyl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1,2-diol?
4-[5-ethyl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1,2-diol has a molecular weight of 264.25 g/mol, XLogP of 1.52, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-ethyl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1,2-diol is sourced from PubChem (CID 134331572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).