3-chloro-2-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydroindazole

C14H14Cl2N2 — CID 66016107

IUPAC3-chloro-2-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydroindazole
SMILESClc1ccccc1Cn1nc2c(c1Cl)CCCC2
InChIInChI=1S/C14H14Cl2N2/c15-12-7-3-1-5-10(12)9-18-14(16)11-6-2-4-8-13(11)17-18/h1,3,5,7H,2,4,6,8-9H2
InChIKeyBDOWRZLSYNGYMY-UHFFFAOYSA-N
MW281.19 g/mol
LogP4.12
Rot. Bonds2

About 3-chloro-2-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydroindazole

3-chloro-2-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydroindazole (PubChem CID 66016107) has the molecular formula C14H14Cl2N2 and a molecular weight of 281.19 g/mol. Its IUPAC name is 3-chloro-2-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydroindazole.

Molecular Properties

Compound Name3-chloro-2-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydroindazole
PubChem CID66016107
Molecular FormulaC14H14Cl2N2
Molecular Weight281.19 g/mol
Exact Mass280.05
IUPAC Name3-chloro-2-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydroindazole
SMILESClc1ccccc1Cn1nc2c(c1Cl)CCCC2
InChIInChI=1S/C14H14Cl2N2/c15-12-7-3-1-5-10(12)9-18-14(16)11-6-2-4-8-13(11)17-18/h1,3,5,7H,2,4,6,8-9H2
InChIKeyBDOWRZLSYNGYMY-UHFFFAOYSA-N
XLogP4.12
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.19
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydroindazole?
The IUPAC name of 3-chloro-2-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydroindazole (CID 66016107) is 3-chloro-2-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydroindazole.
What is the SMILES notation for 3-chloro-2-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydroindazole?
The canonical SMILES for 3-chloro-2-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydroindazole is Clc1ccccc1Cn1nc2c(c1Cl)CCCC2.
What is the InChIKey of 3-chloro-2-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydroindazole?
The InChIKey is BDOWRZLSYNGYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2/c15-12-7-3-1-5-10(12)9-18-14(16)11-6-2-4-8-13(11)17-18/h1,3,5,7H,2,4,6,8-9H2.
What are the key properties of 3-chloro-2-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydroindazole?
3-chloro-2-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydroindazole has a molecular weight of 281.19 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydroindazole is sourced from PubChem (CID 66016107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).