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

C11H16F3N3O — CID 122633509

IUPAC2-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]ethanol
SMILESCc1cc(C(F)(F)F)nn1C1CCN(CCO)C1
InChIInChI=1S/C11H16F3N3O/c1-8-6-10(11(12,13)14)15-17(8)9-2-3-16(7-9)4-5-18/h6,9,18H,2-5,7H2,1H3
InChIKeyVSNHSQOBHSDQPL-UHFFFAOYSA-N
MW263.26 g/mol
LogP1.45
Rot. Bonds3

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

2-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]ethanol (PubChem CID 122633509) has the molecular formula C11H16F3N3O and a molecular weight of 263.26 g/mol. Its IUPAC name is 2-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]ethanol
PubChem CID122633509
Molecular FormulaC11H16F3N3O
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC Name2-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]ethanol
SMILESCc1cc(C(F)(F)F)nn1C1CCN(CCO)C1
InChIInChI=1S/C11H16F3N3O/c1-8-6-10(11(12,13)14)15-17(8)9-2-3-16(7-9)4-5-18/h6,9,18H,2-5,7H2,1H3
InChIKeyVSNHSQOBHSDQPL-UHFFFAOYSA-N
XLogP1.45
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-Dimethyl-1H-pyrazol-1-yl)ethan-1-ol
CID 259665
5-methyl-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3-(trifluoromethyl)-1H-pyrazole
CID 813457
Ethanol, 2-[bis[(1,5-dimethyl-1H-pyrazol-3-yl)methyl]amino]-
CID 2755571
N,N-bis(3,5-dimethylpyrazol-1-ylmethyl)-1-hydroxy-2-aminoethane
CID 2755337
3,5-Dimethyl-1-[(1-propylpyrrolidin-2-yl)methyl]pyrazole
CID 53617273
1-[[1-(2-Methoxyethyl)pyrrolidin-2-yl]methyl]-3,5-dimethylpyrazole
CID 56780552
2-[5-Methyl-3-(trifluoromethyl)-1H-pyrazol-1-YL]ethanol
CID 19619759
2-[3-Methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]ethanol
CID 89833798
4-(2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl)morpholine
CID 52141999
'(Z)-1,1,1-trifluoro-5-(5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)-4-(pyrroli
CID 168353139
1,5-Bis(3,5-di-methylpyrazol-1-yl)-3-oxapentane
CID 12161771
1,3-Bis(3,5-dimethylpyrazol-1-yl)-2-propanol
CID 12603688

Frequently Asked Questions

What is the IUPAC name of 2-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]ethanol?
The IUPAC name of 2-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]ethanol (CID 122633509) is 2-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]ethanol.
What is the SMILES notation for 2-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]ethanol?
The canonical SMILES for 2-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]ethanol is Cc1cc(C(F)(F)F)nn1C1CCN(CCO)C1.
What is the InChIKey of 2-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]ethanol?
The InChIKey is VSNHSQOBHSDQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O/c1-8-6-10(11(12,13)14)15-17(8)9-2-3-16(7-9)4-5-18/h6,9,18H,2-5,7H2,1H3.
What are the key properties of 2-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]ethanol?
2-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]ethanol has a molecular weight of 263.26 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]ethanol is sourced from PubChem (CID 122633509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).