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

C10H13F3N2O2 — CID 122633563

IUPAC4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1,2-diol
SMILESCc1cc(C(F)(F)F)nn1C1CC(O)C(O)C1
InChIInChI=1S/C10H13F3N2O2/c1-5-2-9(10(11,12)13)14-15(5)6-3-7(16)8(17)4-6/h2,6-8,16-17H,3-4H2,1H3
InChIKeyYLGIGGSKWURFDT-UHFFFAOYSA-N
MW250.22 g/mol
LogP1.27
Rot. Bonds1

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

4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1,2-diol (PubChem CID 122633563) has the molecular formula C10H13F3N2O2 and a molecular weight of 250.22 g/mol. Its IUPAC name is 4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1,2-diol.

Molecular Properties

Compound Name4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1,2-diol
PubChem CID122633563
Molecular FormulaC10H13F3N2O2
Molecular Weight250.22 g/mol
Exact Mass250.09
IUPAC Name4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1,2-diol
SMILESCc1cc(C(F)(F)F)nn1C1CC(O)C(O)C1
InChIInChI=1S/C10H13F3N2O2/c1-5-2-9(10(11,12)13)14-15(5)6-3-7(16)8(17)4-6/h2,6-8,16-17H,3-4H2,1H3
InChIKeyYLGIGGSKWURFDT-UHFFFAOYSA-N
XLogP1.27
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.22
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1,2-diol?
The IUPAC name of 4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1,2-diol (CID 122633563) is 4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1,2-diol.
What is the SMILES notation for 4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1,2-diol?
The canonical SMILES for 4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1,2-diol is Cc1cc(C(F)(F)F)nn1C1CC(O)C(O)C1.
What is the InChIKey of 4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1,2-diol?
The InChIKey is YLGIGGSKWURFDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O2/c1-5-2-9(10(11,12)13)14-15(5)6-3-7(16)8(17)4-6/h2,6-8,16-17H,3-4H2,1H3.
What are the key properties of 4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1,2-diol?
4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1,2-diol has a molecular weight of 250.22 g/mol, XLogP of 1.27, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1,2-diol is sourced from PubChem (CID 122633563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).