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

C16H14Cl2N6O — CID 170426507

IUPAC3-[4-[6,7-dichloro-3-(1H-pyrazol-4-yl)indol-1-yl]triazol-1-yl]propan-1-ol
SMILESOCCCn1cc(-n2cc(-c3cn[nH]c3)c3ccc(Cl)c(Cl)c32)nn1
InChIInChI=1S/C16H14Cl2N6O/c17-13-3-2-11-12(10-6-19-20-7-10)8-24(16(11)15(13)18)14-9-23(22-21-14)4-1-5-25/h2-3,6-9,25H,1,4-5H2,(H,19,20)
InChIKeyKBKVASCRYWVKFQ-UHFFFAOYSA-N
MW377.24 g/mol
LogP3.30
Rot. Bonds5

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

3-[4-[6,7-dichloro-3-(1H-pyrazol-4-yl)indol-1-yl]triazol-1-yl]propan-1-ol (PubChem CID 170426507) has the molecular formula C16H14Cl2N6O and a molecular weight of 377.24 g/mol. Its IUPAC name is 3-[4-[6,7-dichloro-3-(1H-pyrazol-4-yl)indol-1-yl]triazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[4-[6,7-dichloro-3-(1H-pyrazol-4-yl)indol-1-yl]triazol-1-yl]propan-1-ol
PubChem CID170426507
Molecular FormulaC16H14Cl2N6O
Molecular Weight377.24 g/mol
Exact Mass376.06
IUPAC Name3-[4-[6,7-dichloro-3-(1H-pyrazol-4-yl)indol-1-yl]triazol-1-yl]propan-1-ol
SMILESOCCCn1cc(-n2cc(-c3cn[nH]c3)c3ccc(Cl)c(Cl)c32)nn1
InChIInChI=1S/C16H14Cl2N6O/c17-13-3-2-11-12(10-6-19-20-7-10)8-24(16(11)15(13)18)14-9-23(22-21-14)4-1-5-25/h2-3,6-9,25H,1,4-5H2,(H,19,20)
InChIKeyKBKVASCRYWVKFQ-UHFFFAOYSA-N
XLogP3.30
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.24
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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 49
CID 170427714
US20230391786, Example 138
CID 170795235

Frequently Asked Questions

What is the IUPAC name of 3-[4-[6,7-dichloro-3-(1H-pyrazol-4-yl)indol-1-yl]triazol-1-yl]propan-1-ol?
The IUPAC name of 3-[4-[6,7-dichloro-3-(1H-pyrazol-4-yl)indol-1-yl]triazol-1-yl]propan-1-ol (CID 170426507) is 3-[4-[6,7-dichloro-3-(1H-pyrazol-4-yl)indol-1-yl]triazol-1-yl]propan-1-ol.
What is the SMILES notation for 3-[4-[6,7-dichloro-3-(1H-pyrazol-4-yl)indol-1-yl]triazol-1-yl]propan-1-ol?
The canonical SMILES for 3-[4-[6,7-dichloro-3-(1H-pyrazol-4-yl)indol-1-yl]triazol-1-yl]propan-1-ol is OCCCn1cc(-n2cc(-c3cn[nH]c3)c3ccc(Cl)c(Cl)c32)nn1.
What is the InChIKey of 3-[4-[6,7-dichloro-3-(1H-pyrazol-4-yl)indol-1-yl]triazol-1-yl]propan-1-ol?
The InChIKey is KBKVASCRYWVKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N6O/c17-13-3-2-11-12(10-6-19-20-7-10)8-24(16(11)15(13)18)14-9-23(22-21-14)4-1-5-25/h2-3,6-9,25H,1,4-5H2,(H,19,20).
What are the key properties of 3-[4-[6,7-dichloro-3-(1H-pyrazol-4-yl)indol-1-yl]triazol-1-yl]propan-1-ol?
3-[4-[6,7-dichloro-3-(1H-pyrazol-4-yl)indol-1-yl]triazol-1-yl]propan-1-ol has a molecular weight of 377.24 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[6,7-dichloro-3-(1H-pyrazol-4-yl)indol-1-yl]triazol-1-yl]propan-1-ol is sourced from PubChem (CID 170426507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).