[1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-yl]methanol

C8H11F3N2O2 — CID 28963798

IUPAC[1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-yl]methanol
SMILESCc1nn(C)c(OCC(F)(F)F)c1CO
InChIInChI=1S/C8H11F3N2O2/c1-5-6(3-14)7(13(2)12-5)15-4-8(9,10)11/h14H,3-4H2,1-2H3
InChIKeyDKNFBZVQZJZPCS-UHFFFAOYSA-N
MW224.18 g/mol
LogP1.16
Rot. Bonds3

About [1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-yl]methanol

[1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-yl]methanol (PubChem CID 28963798) has the molecular formula C8H11F3N2O2 and a molecular weight of 224.18 g/mol. Its IUPAC name is [1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-yl]methanol
PubChem CID28963798
Molecular FormulaC8H11F3N2O2
Molecular Weight224.18 g/mol
Exact Mass224.08
IUPAC Name[1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-yl]methanol
SMILESCc1nn(C)c(OCC(F)(F)F)c1CO
InChIInChI=1S/C8H11F3N2O2/c1-5-6(3-14)7(13(2)12-5)15-4-8(9,10)11/h14H,3-4H2,1-2H3
InChIKeyDKNFBZVQZJZPCS-UHFFFAOYSA-N
XLogP1.16
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.18
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-yl]methanol?
The IUPAC name of [1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-yl]methanol (CID 28963798) is [1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-yl]methanol.
What is the SMILES notation for [1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-yl]methanol?
The canonical SMILES for [1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-yl]methanol is Cc1nn(C)c(OCC(F)(F)F)c1CO.
What is the InChIKey of [1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-yl]methanol?
The InChIKey is DKNFBZVQZJZPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O2/c1-5-6(3-14)7(13(2)12-5)15-4-8(9,10)11/h14H,3-4H2,1-2H3.
What are the key properties of [1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-yl]methanol?
[1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-yl]methanol has a molecular weight of 224.18 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-yl]methanol is sourced from PubChem (CID 28963798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).