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

C9H13F3N2O2 — CID 126744239

IUPAC[1-(3-methoxypropyl)-3-(trifluoromethyl)pyrazol-5-yl]methanol
SMILESCOCCCn1nc(C(F)(F)F)cc1CO
InChIInChI=1S/C9H13F3N2O2/c1-16-4-2-3-14-7(6-15)5-8(13-14)9(10,11)12/h5,15H,2-4,6H2,1H3
InChIKeyGPPKJIJETNBVGN-UHFFFAOYSA-N
MW238.21 g/mol
LogP1.43
Rot. Bonds5

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

[1-(3-methoxypropyl)-3-(trifluoromethyl)pyrazol-5-yl]methanol (PubChem CID 126744239) has the molecular formula C9H13F3N2O2 and a molecular weight of 238.21 g/mol. Its IUPAC name is [1-(3-methoxypropyl)-3-(trifluoromethyl)pyrazol-5-yl]methanol.

Molecular Properties

Compound Name[1-(3-methoxypropyl)-3-(trifluoromethyl)pyrazol-5-yl]methanol
PubChem CID126744239
Molecular FormulaC9H13F3N2O2
Molecular Weight238.21 g/mol
Exact Mass238.09
IUPAC Name[1-(3-methoxypropyl)-3-(trifluoromethyl)pyrazol-5-yl]methanol
SMILESCOCCCn1nc(C(F)(F)F)cc1CO
InChIInChI=1S/C9H13F3N2O2/c1-16-4-2-3-14-7(6-15)5-8(13-14)9(10,11)12/h5,15H,2-4,6H2,1H3
InChIKeyGPPKJIJETNBVGN-UHFFFAOYSA-N
XLogP1.43
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.21
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-(3-methoxypropyl)-3-(trifluoromethyl)pyrazol-5-yl]methanol?
The IUPAC name of [1-(3-methoxypropyl)-3-(trifluoromethyl)pyrazol-5-yl]methanol (CID 126744239) is [1-(3-methoxypropyl)-3-(trifluoromethyl)pyrazol-5-yl]methanol.
What is the SMILES notation for [1-(3-methoxypropyl)-3-(trifluoromethyl)pyrazol-5-yl]methanol?
The canonical SMILES for [1-(3-methoxypropyl)-3-(trifluoromethyl)pyrazol-5-yl]methanol is COCCCn1nc(C(F)(F)F)cc1CO.
What is the InChIKey of [1-(3-methoxypropyl)-3-(trifluoromethyl)pyrazol-5-yl]methanol?
The InChIKey is GPPKJIJETNBVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O2/c1-16-4-2-3-14-7(6-15)5-8(13-14)9(10,11)12/h5,15H,2-4,6H2,1H3.
What are the key properties of [1-(3-methoxypropyl)-3-(trifluoromethyl)pyrazol-5-yl]methanol?
[1-(3-methoxypropyl)-3-(trifluoromethyl)pyrazol-5-yl]methanol has a molecular weight of 238.21 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methoxypropyl)-3-(trifluoromethyl)pyrazol-5-yl]methanol is sourced from PubChem (CID 126744239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).