3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol

C10H13F3N2O — CID 122633606

IUPAC3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol
SMILESCc1cc(C(F)(F)F)nn1C1CCC(O)C1
InChIInChI=1S/C10H13F3N2O/c1-6-4-9(10(11,12)13)14-15(6)7-2-3-8(16)5-7/h4,7-8,16H,2-3,5H2,1H3
InChIKeyQPTDRXGKJDHNLB-UHFFFAOYSA-N
MW234.22 g/mol
LogP2.30
Rot. Bonds1

About 3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol

3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol (PubChem CID 122633606) has the molecular formula C10H13F3N2O and a molecular weight of 234.22 g/mol. Its IUPAC name is 3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol.

Molecular Properties

Compound Name3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol
PubChem CID122633606
Molecular FormulaC10H13F3N2O
Molecular Weight234.22 g/mol
Exact Mass234.10
IUPAC Name3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol
SMILESCc1cc(C(F)(F)F)nn1C1CCC(O)C1
InChIInChI=1S/C10H13F3N2O/c1-6-4-9(10(11,12)13)14-15(6)7-2-3-8(16)5-7/h4,7-8,16H,2-3,5H2,1H3
InChIKeyQPTDRXGKJDHNLB-UHFFFAOYSA-N
XLogP2.30
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol?
The IUPAC name of 3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol (CID 122633606) is 3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol.
What is the SMILES notation for 3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol?
The canonical SMILES for 3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol is Cc1cc(C(F)(F)F)nn1C1CCC(O)C1.
What is the InChIKey of 3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol?
The InChIKey is QPTDRXGKJDHNLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O/c1-6-4-9(10(11,12)13)14-15(6)7-2-3-8(16)5-7/h4,7-8,16H,2-3,5H2,1H3.
What are the key properties of 3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol?
3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol has a molecular weight of 234.22 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol is sourced from PubChem (CID 122633606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).