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

C12H17F3N2O2 — CID 134331573

IUPAC4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1,2-diol
SMILESCC(C)c1cc(C(F)(F)F)nn1C1CC(O)C(O)C1
InChIInChI=1S/C12H17F3N2O2/c1-6(2)8-5-11(12(13,14)15)16-17(8)7-3-9(18)10(19)4-7/h5-7,9-10,18-19H,3-4H2,1-2H3
InChIKeyPUCSNDDZQBSICA-UHFFFAOYSA-N
MW278.27 g/mol
LogP2.08
Rot. Bonds2

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

4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1,2-diol (PubChem CID 134331573) has the molecular formula C12H17F3N2O2 and a molecular weight of 278.27 g/mol. Its IUPAC name is 4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1,2-diol.

Molecular Properties

Compound Name4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1,2-diol
PubChem CID134331573
Molecular FormulaC12H17F3N2O2
Molecular Weight278.27 g/mol
Exact Mass278.12
IUPAC Name4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1,2-diol
SMILESCC(C)c1cc(C(F)(F)F)nn1C1CC(O)C(O)C1
InChIInChI=1S/C12H17F3N2O2/c1-6(2)8-5-11(12(13,14)15)16-17(8)7-3-9(18)10(19)4-7/h5-7,9-10,18-19H,3-4H2,1-2H3
InChIKeyPUCSNDDZQBSICA-UHFFFAOYSA-N
XLogP2.08
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1,2-diol?
The IUPAC name of 4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1,2-diol (CID 134331573) is 4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1,2-diol.
What is the SMILES notation for 4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1,2-diol?
The canonical SMILES for 4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1,2-diol is CC(C)c1cc(C(F)(F)F)nn1C1CC(O)C(O)C1.
What is the InChIKey of 4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1,2-diol?
The InChIKey is PUCSNDDZQBSICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O2/c1-6(2)8-5-11(12(13,14)15)16-17(8)7-3-9(18)10(19)4-7/h5-7,9-10,18-19H,3-4H2,1-2H3.
What are the key properties of 4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1,2-diol?
4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1,2-diol has a molecular weight of 278.27 g/mol, XLogP of 2.08, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1,2-diol is sourced from PubChem (CID 134331573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).