[5-(oxan-4-yl)-3-(trifluoromethyl)pyrazol-1-yl]methanol

C10H13F3N2O2 — CID 121211732

IUPAC[5-(oxan-4-yl)-3-(trifluoromethyl)pyrazol-1-yl]methanol
SMILESOCn1nc(C(F)(F)F)cc1C1CCOCC1
InChIInChI=1S/C10H13F3N2O2/c11-10(12,13)9-5-8(15(6-16)14-9)7-1-3-17-4-2-7/h5,7,16H,1-4,6H2
InChIKeyGZDWBKPUUNYHHG-UHFFFAOYSA-N
MW250.22 g/mol
LogP1.75
Rot. Bonds2

About [5-(oxan-4-yl)-3-(trifluoromethyl)pyrazol-1-yl]methanol

[5-(oxan-4-yl)-3-(trifluoromethyl)pyrazol-1-yl]methanol (PubChem CID 121211732) has the molecular formula C10H13F3N2O2 and a molecular weight of 250.22 g/mol. Its IUPAC name is [5-(oxan-4-yl)-3-(trifluoromethyl)pyrazol-1-yl]methanol.

Molecular Properties

Compound Name[5-(oxan-4-yl)-3-(trifluoromethyl)pyrazol-1-yl]methanol
PubChem CID121211732
Molecular FormulaC10H13F3N2O2
Molecular Weight250.22 g/mol
Exact Mass250.09
IUPAC Name[5-(oxan-4-yl)-3-(trifluoromethyl)pyrazol-1-yl]methanol
SMILESOCn1nc(C(F)(F)F)cc1C1CCOCC1
InChIInChI=1S/C10H13F3N2O2/c11-10(12,13)9-5-8(15(6-16)14-9)7-1-3-17-4-2-7/h5,7,16H,1-4,6H2
InChIKeyGZDWBKPUUNYHHG-UHFFFAOYSA-N
XLogP1.75
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.22
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(oxan-4-yl)-3-(trifluoromethyl)pyrazol-1-yl]methanol?
The IUPAC name of [5-(oxan-4-yl)-3-(trifluoromethyl)pyrazol-1-yl]methanol (CID 121211732) is [5-(oxan-4-yl)-3-(trifluoromethyl)pyrazol-1-yl]methanol.
What is the SMILES notation for [5-(oxan-4-yl)-3-(trifluoromethyl)pyrazol-1-yl]methanol?
The canonical SMILES for [5-(oxan-4-yl)-3-(trifluoromethyl)pyrazol-1-yl]methanol is OCn1nc(C(F)(F)F)cc1C1CCOCC1.
What is the InChIKey of [5-(oxan-4-yl)-3-(trifluoromethyl)pyrazol-1-yl]methanol?
The InChIKey is GZDWBKPUUNYHHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O2/c11-10(12,13)9-5-8(15(6-16)14-9)7-1-3-17-4-2-7/h5,7,16H,1-4,6H2.
What are the key properties of [5-(oxan-4-yl)-3-(trifluoromethyl)pyrazol-1-yl]methanol?
[5-(oxan-4-yl)-3-(trifluoromethyl)pyrazol-1-yl]methanol has a molecular weight of 250.22 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(oxan-4-yl)-3-(trifluoromethyl)pyrazol-1-yl]methanol is sourced from PubChem (CID 121211732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).