3-chloro-2-(3,4-dichlorophenyl)-4,5,6,7-tetrahydroindazole

C13H11Cl3N2 — CID 66022173

IUPAC3-chloro-2-(3,4-dichlorophenyl)-4,5,6,7-tetrahydroindazole
SMILESClc1ccc(-n2nc3c(c2Cl)CCCC3)cc1Cl
InChIInChI=1S/C13H11Cl3N2/c14-10-6-5-8(7-11(10)15)18-13(16)9-3-1-2-4-12(9)17-18/h5-7H,1-4H2
InChIKeyCMGHMNXVHBISLZ-UHFFFAOYSA-N
MW301.60 g/mol
LogP4.71
Rot. Bonds1

About 3-chloro-2-(3,4-dichlorophenyl)-4,5,6,7-tetrahydroindazole

3-chloro-2-(3,4-dichlorophenyl)-4,5,6,7-tetrahydroindazole (PubChem CID 66022173) has the molecular formula C13H11Cl3N2 and a molecular weight of 301.60 g/mol. Its IUPAC name is 3-chloro-2-(3,4-dichlorophenyl)-4,5,6,7-tetrahydroindazole.

Molecular Properties

Compound Name3-chloro-2-(3,4-dichlorophenyl)-4,5,6,7-tetrahydroindazole
PubChem CID66022173
Molecular FormulaC13H11Cl3N2
Molecular Weight301.60 g/mol
Exact Mass300.00
IUPAC Name3-chloro-2-(3,4-dichlorophenyl)-4,5,6,7-tetrahydroindazole
SMILESClc1ccc(-n2nc3c(c2Cl)CCCC3)cc1Cl
InChIInChI=1S/C13H11Cl3N2/c14-10-6-5-8(7-11(10)15)18-13(16)9-3-1-2-4-12(9)17-18/h5-7H,1-4H2
InChIKeyCMGHMNXVHBISLZ-UHFFFAOYSA-N
XLogP4.71
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.60
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(3,4-dichlorophenyl)-4,5,6,7-tetrahydroindazole?
The IUPAC name of 3-chloro-2-(3,4-dichlorophenyl)-4,5,6,7-tetrahydroindazole (CID 66022173) is 3-chloro-2-(3,4-dichlorophenyl)-4,5,6,7-tetrahydroindazole.
What is the SMILES notation for 3-chloro-2-(3,4-dichlorophenyl)-4,5,6,7-tetrahydroindazole?
The canonical SMILES for 3-chloro-2-(3,4-dichlorophenyl)-4,5,6,7-tetrahydroindazole is Clc1ccc(-n2nc3c(c2Cl)CCCC3)cc1Cl.
What is the InChIKey of 3-chloro-2-(3,4-dichlorophenyl)-4,5,6,7-tetrahydroindazole?
The InChIKey is CMGHMNXVHBISLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl3N2/c14-10-6-5-8(7-11(10)15)18-13(16)9-3-1-2-4-12(9)17-18/h5-7H,1-4H2.
What are the key properties of 3-chloro-2-(3,4-dichlorophenyl)-4,5,6,7-tetrahydroindazole?
3-chloro-2-(3,4-dichlorophenyl)-4,5,6,7-tetrahydroindazole has a molecular weight of 301.60 g/mol, XLogP of 4.71, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(3,4-dichlorophenyl)-4,5,6,7-tetrahydroindazole is sourced from PubChem (CID 66022173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).