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

C11H17F3N2O2 — CID 54962089

IUPAC[3,5-dimethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrazol-4-yl]methanol
SMILESCc1nn(CCCOCC(F)(F)F)c(C)c1CO
InChIInChI=1S/C11H17F3N2O2/c1-8-10(6-17)9(2)16(15-8)4-3-5-18-7-11(12,13)14/h17H,3-7H2,1-2H3
InChIKeyIVXGMQJNXFSKBZ-UHFFFAOYSA-N
MW266.26 g/mol
LogP1.96
Rot. Bonds6

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

[3,5-dimethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrazol-4-yl]methanol (PubChem CID 54962089) has the molecular formula C11H17F3N2O2 and a molecular weight of 266.26 g/mol. Its IUPAC name is [3,5-dimethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[3,5-dimethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrazol-4-yl]methanol
PubChem CID54962089
Molecular FormulaC11H17F3N2O2
Molecular Weight266.26 g/mol
Exact Mass266.12
IUPAC Name[3,5-dimethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrazol-4-yl]methanol
SMILESCc1nn(CCCOCC(F)(F)F)c(C)c1CO
InChIInChI=1S/C11H17F3N2O2/c1-8-10(6-17)9(2)16(15-8)4-3-5-18-7-11(12,13)14/h17H,3-7H2,1-2H3
InChIKeyIVXGMQJNXFSKBZ-UHFFFAOYSA-N
XLogP1.96
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 51.96
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-[3-(2,2,2-trifluoroethoxy)propyl]pyrazol-4-yl]methanol?
The IUPAC name of [3,5-dimethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrazol-4-yl]methanol (CID 54962089) is [3,5-dimethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrazol-4-yl]methanol.
What is the SMILES notation for [3,5-dimethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrazol-4-yl]methanol?
The canonical SMILES for [3,5-dimethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrazol-4-yl]methanol is Cc1nn(CCCOCC(F)(F)F)c(C)c1CO.
What is the InChIKey of [3,5-dimethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrazol-4-yl]methanol?
The InChIKey is IVXGMQJNXFSKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O2/c1-8-10(6-17)9(2)16(15-8)4-3-5-18-7-11(12,13)14/h17H,3-7H2,1-2H3.
What are the key properties of [3,5-dimethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrazol-4-yl]methanol?
[3,5-dimethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrazol-4-yl]methanol has a molecular weight of 266.26 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-dimethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrazol-4-yl]methanol is sourced from PubChem (CID 54962089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).