3-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]oxy]-2-methylpropan-1-ol

C15H15Cl2N3O2 — CID 170427341

IUPAC3-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]oxy]-2-methylpropan-1-ol
SMILESCC(CO)COc1cc(Cl)c(Cl)c2[nH]cc(-c3cn[nH]c3)c12
InChIInChI=1S/C15H15Cl2N3O2/c1-8(6-21)7-22-12-2-11(16)14(17)15-13(12)10(5-18-15)9-3-19-20-4-9/h2-5,8,18,21H,6-7H2,1H3,(H,19,20)
InChIKeyLHZSMNHMMZZEHX-UHFFFAOYSA-N
MW340.21 g/mol
LogP3.87
Rot. Bonds5

About 3-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]oxy]-2-methylpropan-1-ol

3-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]oxy]-2-methylpropan-1-ol (PubChem CID 170427341) has the molecular formula C15H15Cl2N3O2 and a molecular weight of 340.21 g/mol. Its IUPAC name is 3-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]oxy]-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]oxy]-2-methylpropan-1-ol
PubChem CID170427341
Molecular FormulaC15H15Cl2N3O2
Molecular Weight340.21 g/mol
Exact Mass339.05
IUPAC Name3-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]oxy]-2-methylpropan-1-ol
SMILESCC(CO)COc1cc(Cl)c(Cl)c2[nH]cc(-c3cn[nH]c3)c12
InChIInChI=1S/C15H15Cl2N3O2/c1-8(6-21)7-22-12-2-11(16)14(17)15-13(12)10(5-18-15)9-3-19-20-4-9/h2-5,8,18,21H,6-7H2,1H3,(H,19,20)
InChIKeyLHZSMNHMMZZEHX-UHFFFAOYSA-N
XLogP3.87
TPSA73.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.21
LogP ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]oxy]-2-methylpropan-1-ol?
The IUPAC name of 3-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]oxy]-2-methylpropan-1-ol (CID 170427341) is 3-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]oxy]-2-methylpropan-1-ol.
What is the SMILES notation for 3-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]oxy]-2-methylpropan-1-ol?
The canonical SMILES for 3-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]oxy]-2-methylpropan-1-ol is CC(CO)COc1cc(Cl)c(Cl)c2[nH]cc(-c3cn[nH]c3)c12.
What is the InChIKey of 3-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]oxy]-2-methylpropan-1-ol?
The InChIKey is LHZSMNHMMZZEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3O2/c1-8(6-21)7-22-12-2-11(16)14(17)15-13(12)10(5-18-15)9-3-19-20-4-9/h2-5,8,18,21H,6-7H2,1H3,(H,19,20).
What are the key properties of 3-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]oxy]-2-methylpropan-1-ol?
3-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]oxy]-2-methylpropan-1-ol has a molecular weight of 340.21 g/mol, XLogP of 3.87, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]oxy]-2-methylpropan-1-ol is sourced from PubChem (CID 170427341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).