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

C11H16F3N3O — CID 2809229

IUPAC1-pyrrolidin-1-yl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
SMILESOC(CN1CCCC1)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C11H16F3N3O/c12-11(13,14)10-3-6-17(15-10)8-9(18)7-16-4-1-2-5-16/h3,6,9,18H,1-2,4-5,7-8H2
InChIKeyBITXQCCVUCXHRC-UHFFFAOYSA-N
MW263.26 g/mol
LogP1.36
Rot. Bonds4

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

1-pyrrolidin-1-yl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol (PubChem CID 2809229) has the molecular formula C11H16F3N3O and a molecular weight of 263.26 g/mol. Its IUPAC name is 1-pyrrolidin-1-yl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-pyrrolidin-1-yl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
PubChem CID2809229
Molecular FormulaC11H16F3N3O
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC Name1-pyrrolidin-1-yl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
SMILESOC(CN1CCCC1)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C11H16F3N3O/c12-11(13,14)10-3-6-17(15-10)8-9(18)7-16-4-1-2-5-16/h3,6,9,18H,1-2,4-5,7-8H2
InChIKeyBITXQCCVUCXHRC-UHFFFAOYSA-N
XLogP1.36
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-pyrrolidin-1-ylpropyl)-3-(trifluoromethyl)pyrazole
CID 116621384
1-(2-methoxyethoxy)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
CID 106989367
(2S)-1-(5,6-dimethylbenzimidazol-1-yl)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
CID 97243184
1-(4-methylphenoxy)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
CID 109411689
1-(1-methoxypropan-2-yloxy)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
CID 106989366
N,N-dimethyl-1-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-amine
CID 162611382
1-[(4-chlorophenyl)methoxy]-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
CID 109411681
1,3-dipyrrolidin-1-ylpropan-2-ol
CID 57126359
1-(3-chlorophenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanol
CID 109411694
1-(cyclobutylmethyl)-3-(trifluoromethyl)pyrazole
CID 115761326
1-cyclopropyl-N-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine
CID 63912882
1-(oxazinan-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 113375826

Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-1-yl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol?
The IUPAC name of 1-pyrrolidin-1-yl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol (CID 2809229) is 1-pyrrolidin-1-yl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol.
What is the SMILES notation for 1-pyrrolidin-1-yl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol?
The canonical SMILES for 1-pyrrolidin-1-yl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol is OC(CN1CCCC1)Cn1ccc(C(F)(F)F)n1.
What is the InChIKey of 1-pyrrolidin-1-yl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol?
The InChIKey is BITXQCCVUCXHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O/c12-11(13,14)10-3-6-17(15-10)8-9(18)7-16-4-1-2-5-16/h3,6,9,18H,1-2,4-5,7-8H2.
What are the key properties of 1-pyrrolidin-1-yl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol?
1-pyrrolidin-1-yl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol has a molecular weight of 263.26 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-1-yl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol is sourced from PubChem (CID 2809229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).