1-(6-ethynyl-1H-indazol-4-yl)-2-phenylethanol

C17H14N2O — CID 155554330

IUPAC1-(6-ethynyl-1H-indazol-4-yl)-2-phenylethanol
SMILESC#Cc1cc(C(O)Cc2ccccc2)c2cn[nH]c2c1
InChIInChI=1S/C17H14N2O/c1-2-12-8-14(15-11-18-19-16(15)9-12)17(20)10-13-6-4-3-5-7-13/h1,3-9,11,17,20H,10H2,(H,18,19)
InChIKeyTWIGANCDUBIKKE-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.82
Rot. Bonds3

About 1-(6-ethynyl-1H-indazol-4-yl)-2-phenylethanol

1-(6-ethynyl-1H-indazol-4-yl)-2-phenylethanol (PubChem CID 155554330) has the molecular formula C17H14N2O and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-(6-ethynyl-1H-indazol-4-yl)-2-phenylethanol.

Molecular Properties

Compound Name1-(6-ethynyl-1H-indazol-4-yl)-2-phenylethanol
PubChem CID155554330
Molecular FormulaC17H14N2O
Molecular Weight262.31 g/mol
Exact Mass262.11
IUPAC Name1-(6-ethynyl-1H-indazol-4-yl)-2-phenylethanol
SMILESC#Cc1cc(C(O)Cc2ccccc2)c2cn[nH]c2c1
InChIInChI=1S/C17H14N2O/c1-2-12-8-14(15-11-18-19-16(15)9-12)17(20)10-13-6-4-3-5-7-13/h1,3-9,11,17,20H,10H2,(H,18,19)
InChIKeyTWIGANCDUBIKKE-UHFFFAOYSA-N
XLogP2.82
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(6-ethynyl-1H-indazol-4-yl)-2-phenylethanol 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-(6-ethynyl-1H-indazol-4-yl)-2-phenylethanol?
The IUPAC name of 1-(6-ethynyl-1H-indazol-4-yl)-2-phenylethanol (CID 155554330) is 1-(6-ethynyl-1H-indazol-4-yl)-2-phenylethanol.
What is the SMILES notation for 1-(6-ethynyl-1H-indazol-4-yl)-2-phenylethanol?
The canonical SMILES for 1-(6-ethynyl-1H-indazol-4-yl)-2-phenylethanol is C#Cc1cc(C(O)Cc2ccccc2)c2cn[nH]c2c1.
What is the InChIKey of 1-(6-ethynyl-1H-indazol-4-yl)-2-phenylethanol?
The InChIKey is TWIGANCDUBIKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O/c1-2-12-8-14(15-11-18-19-16(15)9-12)17(20)10-13-6-4-3-5-7-13/h1,3-9,11,17,20H,10H2,(H,18,19).
What are the key properties of 1-(6-ethynyl-1H-indazol-4-yl)-2-phenylethanol?
1-(6-ethynyl-1H-indazol-4-yl)-2-phenylethanol has a molecular weight of 262.31 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethynyl-1H-indazol-4-yl)-2-phenylethanol is sourced from PubChem (CID 155554330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).