[5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-2-pyridinyl]methanol

C14H14F3N3O — CID 25015542

IUPAC[5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-2-pyridinyl]methanol
SMILESOCc1ccc(-n2nc(C(F)(F)F)c3c2CCCC3)cn1
InChIInChI=1S/C14H14F3N3O/c15-14(16,17)13-11-3-1-2-4-12(11)20(19-13)10-6-5-9(8-21)18-7-10/h5-7,21H,1-4,8H2
InChIKeyVYDPRPGADMJUBJ-UHFFFAOYSA-N
MW297.28 g/mol
LogP2.66
Rot. Bonds2

About [5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-2-pyridinyl]methanol

[5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-2-pyridinyl]methanol (PubChem CID 25015542) has the molecular formula C14H14F3N3O and a molecular weight of 297.28 g/mol. Its IUPAC name is [5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-2-pyridinyl]methanol.

Molecular Properties

Compound Name[5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-2-pyridinyl]methanol
PubChem CID25015542
Molecular FormulaC14H14F3N3O
Molecular Weight297.28 g/mol
Exact Mass297.11
IUPAC Name[5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-2-pyridinyl]methanol
SMILESOCc1ccc(-n2nc(C(F)(F)F)c3c2CCCC3)cn1
InChIInChI=1S/C14H14F3N3O/c15-14(16,17)13-11-3-1-2-4-12(11)20(19-13)10-6-5-9(8-21)18-7-10/h5-7,21H,1-4,8H2
InChIKeyVYDPRPGADMJUBJ-UHFFFAOYSA-N
XLogP2.66
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-2-pyridinyl]methanol 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 [5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-2-pyridinyl]methanol?
The IUPAC name of [5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-2-pyridinyl]methanol (CID 25015542) is [5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-2-pyridinyl]methanol.
What is the SMILES notation for [5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-2-pyridinyl]methanol?
The canonical SMILES for [5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-2-pyridinyl]methanol is OCc1ccc(-n2nc(C(F)(F)F)c3c2CCCC3)cn1.
What is the InChIKey of [5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-2-pyridinyl]methanol?
The InChIKey is VYDPRPGADMJUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O/c15-14(16,17)13-11-3-1-2-4-12(11)20(19-13)10-6-5-9(8-21)18-7-10/h5-7,21H,1-4,8H2.
What are the key properties of [5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-2-pyridinyl]methanol?
[5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-2-pyridinyl]methanol has a molecular weight of 297.28 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-2-pyridinyl]methanol is sourced from PubChem (CID 25015542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).