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

C10H15F3N2O2 — CID 54961652

IUPAC[3,5-dimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-yl]methanol
SMILESCc1nn(CCOCC(F)(F)F)c(C)c1CO
InChIInChI=1S/C10H15F3N2O2/c1-7-9(5-16)8(2)15(14-7)3-4-17-6-10(11,12)13/h16H,3-6H2,1-2H3
InChIKeyFVMYAZGBTRWZNA-UHFFFAOYSA-N
MW252.24 g/mol
LogP1.57
Rot. Bonds5

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

[3,5-dimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-yl]methanol (PubChem CID 54961652) has the molecular formula C10H15F3N2O2 and a molecular weight of 252.24 g/mol. Its IUPAC name is [3,5-dimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[3,5-dimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-yl]methanol
PubChem CID54961652
Molecular FormulaC10H15F3N2O2
Molecular Weight252.24 g/mol
Exact Mass252.11
IUPAC Name[3,5-dimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-yl]methanol
SMILESCc1nn(CCOCC(F)(F)F)c(C)c1CO
InChIInChI=1S/C10H15F3N2O2/c1-7-9(5-16)8(2)15(14-7)3-4-17-6-10(11,12)13/h16H,3-6H2,1-2H3
InChIKeyFVMYAZGBTRWZNA-UHFFFAOYSA-N
XLogP1.57
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.24
LogP ≤ 51.57
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 [3,5-dimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-yl]methanol?
The IUPAC name of [3,5-dimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-yl]methanol (CID 54961652) is [3,5-dimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-yl]methanol.
What is the SMILES notation for [3,5-dimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-yl]methanol?
The canonical SMILES for [3,5-dimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-yl]methanol is Cc1nn(CCOCC(F)(F)F)c(C)c1CO.
What is the InChIKey of [3,5-dimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-yl]methanol?
The InChIKey is FVMYAZGBTRWZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O2/c1-7-9(5-16)8(2)15(14-7)3-4-17-6-10(11,12)13/h16H,3-6H2,1-2H3.
What are the key properties of [3,5-dimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-yl]methanol?
[3,5-dimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-yl]methanol has a molecular weight of 252.24 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-dimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-yl]methanol is sourced from PubChem (CID 54961652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).