3-[4-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol

C9H11F3N2O — CID 79632132

IUPAC3-[4-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol
SMILESOC1CCC(n2cc(C(F)(F)F)cn2)C1
InChIInChI=1S/C9H11F3N2O/c10-9(11,12)6-4-13-14(5-6)7-1-2-8(15)3-7/h4-5,7-8,15H,1-3H2
InChIKeyLWXTYTWOPCBFFR-UHFFFAOYSA-N
MW220.19 g/mol
LogP1.99
Rot. Bonds1

About 3-[4-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol

3-[4-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol (PubChem CID 79632132) has the molecular formula C9H11F3N2O and a molecular weight of 220.19 g/mol. Its IUPAC name is 3-[4-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol.

Molecular Properties

Compound Name3-[4-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol
PubChem CID79632132
Molecular FormulaC9H11F3N2O
Molecular Weight220.19 g/mol
Exact Mass220.08
IUPAC Name3-[4-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol
SMILESOC1CCC(n2cc(C(F)(F)F)cn2)C1
InChIInChI=1S/C9H11F3N2O/c10-9(11,12)6-4-13-14(5-6)7-1-2-8(15)3-7/h4-5,7-8,15H,1-3H2
InChIKeyLWXTYTWOPCBFFR-UHFFFAOYSA-N
XLogP1.99
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol?
The IUPAC name of 3-[4-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol (CID 79632132) is 3-[4-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol.
What is the SMILES notation for 3-[4-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol?
The canonical SMILES for 3-[4-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol is OC1CCC(n2cc(C(F)(F)F)cn2)C1.
What is the InChIKey of 3-[4-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol?
The InChIKey is LWXTYTWOPCBFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O/c10-9(11,12)6-4-13-14(5-6)7-1-2-8(15)3-7/h4-5,7-8,15H,1-3H2.
What are the key properties of 3-[4-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol?
3-[4-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol has a molecular weight of 220.19 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol is sourced from PubChem (CID 79632132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).