2-[3-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]ethanol

C13H20F3N3O — CID 134331608

IUPAC2-[3-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]ethanol
SMILESCC(C)c1cc(C(F)(F)F)nn1C1CCN(CCO)C1
InChIInChI=1S/C13H20F3N3O/c1-9(2)11-7-12(13(14,15)16)17-19(11)10-3-4-18(8-10)5-6-20/h7,9-10,20H,3-6,8H2,1-2H3
InChIKeyLRVALHBIRXXJDH-UHFFFAOYSA-N
MW291.32 g/mol
LogP2.26
Rot. Bonds4

About 2-[3-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]ethanol

2-[3-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]ethanol (PubChem CID 134331608) has the molecular formula C13H20F3N3O and a molecular weight of 291.32 g/mol. Its IUPAC name is 2-[3-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[3-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]ethanol
PubChem CID134331608
Molecular FormulaC13H20F3N3O
Molecular Weight291.32 g/mol
Exact Mass291.16
IUPAC Name2-[3-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]ethanol
SMILESCC(C)c1cc(C(F)(F)F)nn1C1CCN(CCO)C1
InChIInChI=1S/C13H20F3N3O/c1-9(2)11-7-12(13(14,15)16)17-19(11)10-3-4-18(8-10)5-6-20/h7,9-10,20H,3-6,8H2,1-2H3
InChIKeyLRVALHBIRXXJDH-UHFFFAOYSA-N
XLogP2.26
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]ethanol?
The IUPAC name of 2-[3-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]ethanol (CID 134331608) is 2-[3-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]ethanol.
What is the SMILES notation for 2-[3-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]ethanol?
The canonical SMILES for 2-[3-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]ethanol is CC(C)c1cc(C(F)(F)F)nn1C1CCN(CCO)C1.
What is the InChIKey of 2-[3-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]ethanol?
The InChIKey is LRVALHBIRXXJDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3O/c1-9(2)11-7-12(13(14,15)16)17-19(11)10-3-4-18(8-10)5-6-20/h7,9-10,20H,3-6,8H2,1-2H3.
What are the key properties of 2-[3-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]ethanol?
2-[3-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]ethanol has a molecular weight of 291.32 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]ethanol is sourced from PubChem (CID 134331608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).