2-[4-[6,7-dichloro-3-(1H-pyrazol-4-yl)indol-1-yl]triazol-1-yl]ethanol

C15H12Cl2N6O — CID 170426872

IUPAC2-[4-[6,7-dichloro-3-(1H-pyrazol-4-yl)indol-1-yl]triazol-1-yl]ethanol
SMILESOCCn1cc(-n2cc(-c3cn[nH]c3)c3ccc(Cl)c(Cl)c32)nn1
InChIInChI=1S/C15H12Cl2N6O/c16-12-2-1-10-11(9-5-18-19-6-9)7-23(15(10)14(12)17)13-8-22(3-4-24)21-20-13/h1-2,5-8,24H,3-4H2,(H,18,19)
InChIKeyQPJMJAMCBTVQGK-UHFFFAOYSA-N
MW363.21 g/mol
LogP2.91
Rot. Bonds4

About 2-[4-[6,7-dichloro-3-(1H-pyrazol-4-yl)indol-1-yl]triazol-1-yl]ethanol

2-[4-[6,7-dichloro-3-(1H-pyrazol-4-yl)indol-1-yl]triazol-1-yl]ethanol (PubChem CID 170426872) has the molecular formula C15H12Cl2N6O and a molecular weight of 363.21 g/mol. Its IUPAC name is 2-[4-[6,7-dichloro-3-(1H-pyrazol-4-yl)indol-1-yl]triazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[6,7-dichloro-3-(1H-pyrazol-4-yl)indol-1-yl]triazol-1-yl]ethanol
PubChem CID170426872
Molecular FormulaC15H12Cl2N6O
Molecular Weight363.21 g/mol
Exact Mass362.04
IUPAC Name2-[4-[6,7-dichloro-3-(1H-pyrazol-4-yl)indol-1-yl]triazol-1-yl]ethanol
SMILESOCCn1cc(-n2cc(-c3cn[nH]c3)c3ccc(Cl)c(Cl)c32)nn1
InChIInChI=1S/C15H12Cl2N6O/c16-12-2-1-10-11(9-5-18-19-6-9)7-23(15(10)14(12)17)13-8-22(3-4-24)21-20-13/h1-2,5-8,24H,3-4H2,(H,18,19)
InChIKeyQPJMJAMCBTVQGK-UHFFFAOYSA-N
XLogP2.91
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.21
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-[6,7-dichloro-3-(1H-pyrazol-4-yl)indol-1-yl]triazol-1-yl]ethanol with MolForge

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

Launch Full Analysis

Related Compounds

US20230391786, Example 173
CID 170795244
US20230391786, Example 218
CID 170795255
US20230391786, Example 12
CID 170426549
US20230391786, Example 328
CID 170426577
6-Chloro-3-(1H-pyrazol-4-yl)-1-(1H-triazol-4-yl)indole
CID 170426783
US20230391786, Example 111
CID 170427013
US20230391786, Example 36
CID 170427143
US20230391786, Example 103
CID 170427222
US20230391786, Example 69
CID 170427291
US20230391786, Example 34
CID 170427549
US20230391786, Example 138
CID 170795235
US20230391786, Example 140
CID 170795236

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6,7-dichloro-3-(1H-pyrazol-4-yl)indol-1-yl]triazol-1-yl]ethanol?
The IUPAC name of 2-[4-[6,7-dichloro-3-(1H-pyrazol-4-yl)indol-1-yl]triazol-1-yl]ethanol (CID 170426872) is 2-[4-[6,7-dichloro-3-(1H-pyrazol-4-yl)indol-1-yl]triazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[6,7-dichloro-3-(1H-pyrazol-4-yl)indol-1-yl]triazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[6,7-dichloro-3-(1H-pyrazol-4-yl)indol-1-yl]triazol-1-yl]ethanol is OCCn1cc(-n2cc(-c3cn[nH]c3)c3ccc(Cl)c(Cl)c32)nn1.
What is the InChIKey of 2-[4-[6,7-dichloro-3-(1H-pyrazol-4-yl)indol-1-yl]triazol-1-yl]ethanol?
The InChIKey is QPJMJAMCBTVQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N6O/c16-12-2-1-10-11(9-5-18-19-6-9)7-23(15(10)14(12)17)13-8-22(3-4-24)21-20-13/h1-2,5-8,24H,3-4H2,(H,18,19).
What are the key properties of 2-[4-[6,7-dichloro-3-(1H-pyrazol-4-yl)indol-1-yl]triazol-1-yl]ethanol?
2-[4-[6,7-dichloro-3-(1H-pyrazol-4-yl)indol-1-yl]triazol-1-yl]ethanol has a molecular weight of 363.21 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6,7-dichloro-3-(1H-pyrazol-4-yl)indol-1-yl]triazol-1-yl]ethanol is sourced from PubChem (CID 170426872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).