4-[3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-3-ol

C8H10F3N3O — CID 63704742

IUPAC4-[3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-3-ol
SMILESOC1CNCC1n1ccc(C(F)(F)F)n1
InChIInChI=1S/C8H10F3N3O/c9-8(10,11)7-1-2-14(13-7)5-3-12-4-6(5)15/h1-2,5-6,12,15H,3-4H2
InChIKeyKRGCQHWGQXCQMB-UHFFFAOYSA-N
MW221.18 g/mol
LogP0.41
Rot. Bonds1

About 4-[3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-3-ol

4-[3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-3-ol (PubChem CID 63704742) has the molecular formula C8H10F3N3O and a molecular weight of 221.18 g/mol. Its IUPAC name is 4-[3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name4-[3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-3-ol
PubChem CID63704742
Molecular FormulaC8H10F3N3O
Molecular Weight221.18 g/mol
Exact Mass221.08
IUPAC Name4-[3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-3-ol
SMILESOC1CNCC1n1ccc(C(F)(F)F)n1
InChIInChI=1S/C8H10F3N3O/c9-8(10,11)7-1-2-14(13-7)5-3-12-4-6(5)15/h1-2,5-6,12,15H,3-4H2
InChIKeyKRGCQHWGQXCQMB-UHFFFAOYSA-N
XLogP0.41
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-3-ol?
The IUPAC name of 4-[3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-3-ol (CID 63704742) is 4-[3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-3-ol.
What is the SMILES notation for 4-[3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-3-ol?
The canonical SMILES for 4-[3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-3-ol is OC1CNCC1n1ccc(C(F)(F)F)n1.
What is the InChIKey of 4-[3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-3-ol?
The InChIKey is KRGCQHWGQXCQMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O/c9-8(10,11)7-1-2-14(13-7)5-3-12-4-6(5)15/h1-2,5-6,12,15H,3-4H2.
What are the key properties of 4-[3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-3-ol?
4-[3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-3-ol has a molecular weight of 221.18 g/mol, XLogP of 0.41, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-3-ol is sourced from PubChem (CID 63704742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).