1-[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrazol-4-yl]propan-1-ol

C11H17F3N2O2 — CID 62730735

IUPAC1-[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrazol-4-yl]propan-1-ol
SMILESCCC(O)c1cnn(CCCOCC(F)(F)F)c1
InChIInChI=1S/C11H17F3N2O2/c1-2-10(17)9-6-15-16(7-9)4-3-5-18-8-11(12,13)14/h6-7,10,17H,2-5,8H2,1H3
InChIKeyLPXMYOIZMXXHJS-UHFFFAOYSA-N
MW266.26 g/mol
LogP2.30
Rot. Bonds7

About 1-[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrazol-4-yl]propan-1-ol

1-[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrazol-4-yl]propan-1-ol (PubChem CID 62730735) has the molecular formula C11H17F3N2O2 and a molecular weight of 266.26 g/mol. Its IUPAC name is 1-[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrazol-4-yl]propan-1-ol.

Molecular Properties

Compound Name1-[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrazol-4-yl]propan-1-ol
PubChem CID62730735
Molecular FormulaC11H17F3N2O2
Molecular Weight266.26 g/mol
Exact Mass266.12
IUPAC Name1-[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrazol-4-yl]propan-1-ol
SMILESCCC(O)c1cnn(CCCOCC(F)(F)F)c1
InChIInChI=1S/C11H17F3N2O2/c1-2-10(17)9-6-15-16(7-9)4-3-5-18-8-11(12,13)14/h6-7,10,17H,2-5,8H2,1H3
InChIKeyLPXMYOIZMXXHJS-UHFFFAOYSA-N
XLogP2.30
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrazol-4-yl]propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrazol-4-yl]propan-1-ol?
The IUPAC name of 1-[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrazol-4-yl]propan-1-ol (CID 62730735) is 1-[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrazol-4-yl]propan-1-ol.
What is the SMILES notation for 1-[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrazol-4-yl]propan-1-ol?
The canonical SMILES for 1-[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrazol-4-yl]propan-1-ol is CCC(O)c1cnn(CCCOCC(F)(F)F)c1.
What is the InChIKey of 1-[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrazol-4-yl]propan-1-ol?
The InChIKey is LPXMYOIZMXXHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O2/c1-2-10(17)9-6-15-16(7-9)4-3-5-18-8-11(12,13)14/h6-7,10,17H,2-5,8H2,1H3.
What are the key properties of 1-[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrazol-4-yl]propan-1-ol?
1-[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrazol-4-yl]propan-1-ol has a molecular weight of 266.26 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrazol-4-yl]propan-1-ol is sourced from PubChem (CID 62730735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).