1-[[6-(3,4-dichlorophenyl)-3-azabicyclo[4.1.0]heptan-1-yl]methyl]-4,5,6,7-tetrahydroindazole

C20H23Cl2N3 — CID 70970350

IUPAC1-[[6-(3,4-dichlorophenyl)-3-azabicyclo[4.1.0]heptan-1-yl]methyl]-4,5,6,7-tetrahydroindazole
SMILESClc1ccc(C23CCNCC2(Cn2ncc4c2CCCC4)C3)cc1Cl
InChIInChI=1S/C20H23Cl2N3/c21-16-6-5-15(9-17(16)22)20-7-8-23-12-19(20,11-20)13-25-18-4-2-1-3-14(18)10-24-25/h5-6,9-10,23H,1-4,7-8,11-13H2
InChIKeyQWWZBBLLGWOODX-UHFFFAOYSA-N
MW376.33 g/mol
LogP4.39
Rot. Bonds3

About 1-[[6-(3,4-dichlorophenyl)-3-azabicyclo[4.1.0]heptan-1-yl]methyl]-4,5,6,7-tetrahydroindazole

1-[[6-(3,4-dichlorophenyl)-3-azabicyclo[4.1.0]heptan-1-yl]methyl]-4,5,6,7-tetrahydroindazole (PubChem CID 70970350) has the molecular formula C20H23Cl2N3 and a molecular weight of 376.33 g/mol. Its IUPAC name is 1-[[6-(3,4-dichlorophenyl)-3-azabicyclo[4.1.0]heptan-1-yl]methyl]-4,5,6,7-tetrahydroindazole.

Molecular Properties

Compound Name1-[[6-(3,4-dichlorophenyl)-3-azabicyclo[4.1.0]heptan-1-yl]methyl]-4,5,6,7-tetrahydroindazole
PubChem CID70970350
Molecular FormulaC20H23Cl2N3
Molecular Weight376.33 g/mol
Exact Mass375.13
IUPAC Name1-[[6-(3,4-dichlorophenyl)-3-azabicyclo[4.1.0]heptan-1-yl]methyl]-4,5,6,7-tetrahydroindazole
SMILESClc1ccc(C23CCNCC2(Cn2ncc4c2CCCC4)C3)cc1Cl
InChIInChI=1S/C20H23Cl2N3/c21-16-6-5-15(9-17(16)22)20-7-8-23-12-19(20,11-20)13-25-18-4-2-1-3-14(18)10-24-25/h5-6,9-10,23H,1-4,7-8,11-13H2
InChIKeyQWWZBBLLGWOODX-UHFFFAOYSA-N
XLogP4.39
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.33
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[6-(3,4-dichlorophenyl)-3-azabicyclo[4.1.0]heptan-1-yl]methyl]-4,5,6,7-tetrahydroindazole?
The IUPAC name of 1-[[6-(3,4-dichlorophenyl)-3-azabicyclo[4.1.0]heptan-1-yl]methyl]-4,5,6,7-tetrahydroindazole (CID 70970350) is 1-[[6-(3,4-dichlorophenyl)-3-azabicyclo[4.1.0]heptan-1-yl]methyl]-4,5,6,7-tetrahydroindazole.
What is the SMILES notation for 1-[[6-(3,4-dichlorophenyl)-3-azabicyclo[4.1.0]heptan-1-yl]methyl]-4,5,6,7-tetrahydroindazole?
The canonical SMILES for 1-[[6-(3,4-dichlorophenyl)-3-azabicyclo[4.1.0]heptan-1-yl]methyl]-4,5,6,7-tetrahydroindazole is Clc1ccc(C23CCNCC2(Cn2ncc4c2CCCC4)C3)cc1Cl.
What is the InChIKey of 1-[[6-(3,4-dichlorophenyl)-3-azabicyclo[4.1.0]heptan-1-yl]methyl]-4,5,6,7-tetrahydroindazole?
The InChIKey is QWWZBBLLGWOODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Cl2N3/c21-16-6-5-15(9-17(16)22)20-7-8-23-12-19(20,11-20)13-25-18-4-2-1-3-14(18)10-24-25/h5-6,9-10,23H,1-4,7-8,11-13H2.
What are the key properties of 1-[[6-(3,4-dichlorophenyl)-3-azabicyclo[4.1.0]heptan-1-yl]methyl]-4,5,6,7-tetrahydroindazole?
1-[[6-(3,4-dichlorophenyl)-3-azabicyclo[4.1.0]heptan-1-yl]methyl]-4,5,6,7-tetrahydroindazole has a molecular weight of 376.33 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(3,4-dichlorophenyl)-3-azabicyclo[4.1.0]heptan-1-yl]methyl]-4,5,6,7-tetrahydroindazole is sourced from PubChem (CID 70970350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).