trans-(1R,2R)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol

C12H15F3N2O — CID 138031846

IUPACtrans-(1R,2R)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol
SMILESO[C@@H]1CCC[C@H]1n1nc(C(F)(F)F)cc1C1CC1
InChIInChI=1S/C12H15F3N2O/c13-12(14,15)11-6-9(7-4-5-7)17(16-11)8-2-1-3-10(8)18/h6-8,10,18H,1-5H2/t8-,10-/m1/s1
InChIKeyNNYLNKOKKWZPPN-PSASIEDQSA-N
MW260.26 g/mol
LogP2.87
Rot. Bonds2

About trans-(1R,2R)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol

trans-(1R,2R)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol (PubChem CID 138031846) has the molecular formula C12H15F3N2O and a molecular weight of 260.26 g/mol. Its IUPAC name is trans-(1R,2R)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol
PubChem CID138031846
Molecular FormulaC12H15F3N2O
Molecular Weight260.26 g/mol
Exact Mass260.11
IUPAC Nametrans-(1R,2R)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol
SMILESO[C@@H]1CCC[C@H]1n1nc(C(F)(F)F)cc1C1CC1
InChIInChI=1S/C12H15F3N2O/c13-12(14,15)11-6-9(7-4-5-7)17(16-11)8-2-1-3-10(8)18/h6-8,10,18H,1-5H2/t8-,10-/m1/s1
InChIKeyNNYLNKOKKWZPPN-PSASIEDQSA-N
XLogP2.87
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-cyclopropyl-3-(difluoromethyl)-1-[(3S)-oxan-3-yl]pyrazole
CID 164630170
trans-(1S,2S)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol
CID 164632416
2-(5-isopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)ethan-1-ol
CID 121211723
4-[5-Propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-ol
CID 134331554
4-[5-Propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1,2-diol
CID 134331573
2-Amino-4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol
CID 134331594
2-[3-[5-Propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]ethanol
CID 134331608
1-[3-[5-Propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]propan-2-ol
CID 134331612
2-[4-[5-Propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanol
CID 134331677
3-[5-Propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol
CID 134331678
4-[[3-Tert-butyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]cyclohexan-1-ol
CID 157041996
Ethane;4-[[3-propan-2-yl-5-(trifluoromethyl)pyrazol-1-yl]methyl]cyclohexan-1-ol
CID 157041997

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol?
The IUPAC name of trans-(1R,2R)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol (CID 138031846) is trans-(1R,2R)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol is O[C@@H]1CCC[C@H]1n1nc(C(F)(F)F)cc1C1CC1.
What is the InChIKey of trans-(1R,2R)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol?
The InChIKey is NNYLNKOKKWZPPN-PSASIEDQSA-N. The full InChI is InChI=1S/C12H15F3N2O/c13-12(14,15)11-6-9(7-4-5-7)17(16-11)8-2-1-3-10(8)18/h6-8,10,18H,1-5H2/t8-,10-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol?
trans-(1R,2R)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol has a molecular weight of 260.26 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol is sourced from PubChem (CID 138031846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).