[1-(2-methoxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]methanol

C8H11F3N2O2 — CID 121210616

IUPAC[1-(2-methoxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]methanol
SMILESCOCCn1nc(C(F)(F)F)cc1CO
InChIInChI=1S/C8H11F3N2O2/c1-15-3-2-13-6(5-14)4-7(12-13)8(9,10)11/h4,14H,2-3,5H2,1H3
InChIKeyDZNUILZTUIHCTK-UHFFFAOYSA-N
MW224.18 g/mol
LogP1.04
Rot. Bonds4

About [1-(2-methoxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]methanol

[1-(2-methoxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]methanol (PubChem CID 121210616) has the molecular formula C8H11F3N2O2 and a molecular weight of 224.18 g/mol. Its IUPAC name is [1-(2-methoxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]methanol.

Molecular Properties

Compound Name[1-(2-methoxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]methanol
PubChem CID121210616
Molecular FormulaC8H11F3N2O2
Molecular Weight224.18 g/mol
Exact Mass224.08
IUPAC Name[1-(2-methoxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]methanol
SMILESCOCCn1nc(C(F)(F)F)cc1CO
InChIInChI=1S/C8H11F3N2O2/c1-15-3-2-13-6(5-14)4-7(12-13)8(9,10)11/h4,14H,2-3,5H2,1H3
InChIKeyDZNUILZTUIHCTK-UHFFFAOYSA-N
XLogP1.04
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.18
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1,3-dimethyl-1H-pyrazol-5-yl)methanol
CID 2776363
(1,5-Dimethyl-1H-Pyrazol-3-Yl)Methanol
CID 2776366
(4H,6H,7H-pyrazolo(3,2-c)(1,4)oxazin-2-yl)methanol
CID 11845787
1-Methyl-5-(trifluoromethyl)-1H-pyrazole-3-methanol
CID 50896703
5-(hydroxymethyl)-1-methyl-1H-pyrazole-3-carbonitrile
CID 131545365
2-[5-Methyl-3-(trifluoromethyl)-1H-pyrazol-1-YL]ethanol
CID 19619759
2-[3-Methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]ethanol
CID 89833798
1-(1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl)ethanol
CID 75175983
2,2,2-trifluoro-1-[1-(propan-2-yl)-1H-pyrazol-5-yl]ethan-1-ol
CID 126973841
1-Methyl-3,5-bis(hydroxymethyl)-pyrazole
CID 84648737
(1-ethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl)methanol
CID 25247664
2-((1-Ethyl-3-(trifluoromethyl)-1h-pyrazol-5-yl)methoxy)ethan-1-amine
CID 25248679

Frequently Asked Questions

What is the IUPAC name of [1-(2-methoxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]methanol?
The IUPAC name of [1-(2-methoxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]methanol (CID 121210616) is [1-(2-methoxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]methanol.
What is the SMILES notation for [1-(2-methoxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]methanol?
The canonical SMILES for [1-(2-methoxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]methanol is COCCn1nc(C(F)(F)F)cc1CO.
What is the InChIKey of [1-(2-methoxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]methanol?
The InChIKey is DZNUILZTUIHCTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O2/c1-15-3-2-13-6(5-14)4-7(12-13)8(9,10)11/h4,14H,2-3,5H2,1H3.
What are the key properties of [1-(2-methoxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]methanol?
[1-(2-methoxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]methanol has a molecular weight of 224.18 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methoxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]methanol is sourced from PubChem (CID 121210616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).