4-chloro-6-(3-chlorophenyl)-3-methyl-4,5,6,7-tetrahydro-2H-indazole

C14H14Cl2N2 — CID 66489571

IUPAC4-chloro-6-(3-chlorophenyl)-3-methyl-4,5,6,7-tetrahydro-2H-indazole
SMILESCc1[nH]nc2c1C(Cl)CC(c1cccc(Cl)c1)C2
InChIInChI=1S/C14H14Cl2N2/c1-8-14-12(16)6-10(7-13(14)18-17-8)9-3-2-4-11(15)5-9/h2-5,10,12H,6-7H2,1H3,(H,17,18)
InChIKeyLZUKNUGCDLPMET-UHFFFAOYSA-N
MW281.19 g/mol
LogP4.38
Rot. Bonds1

About 4-chloro-6-(3-chlorophenyl)-3-methyl-4,5,6,7-tetrahydro-2H-indazole

4-chloro-6-(3-chlorophenyl)-3-methyl-4,5,6,7-tetrahydro-2H-indazole (PubChem CID 66489571) has the molecular formula C14H14Cl2N2 and a molecular weight of 281.19 g/mol. Its IUPAC name is 4-chloro-6-(3-chlorophenyl)-3-methyl-4,5,6,7-tetrahydro-2H-indazole.

Molecular Properties

Compound Name4-chloro-6-(3-chlorophenyl)-3-methyl-4,5,6,7-tetrahydro-2H-indazole
PubChem CID66489571
Molecular FormulaC14H14Cl2N2
Molecular Weight281.19 g/mol
Exact Mass280.05
IUPAC Name4-chloro-6-(3-chlorophenyl)-3-methyl-4,5,6,7-tetrahydro-2H-indazole
SMILESCc1[nH]nc2c1C(Cl)CC(c1cccc(Cl)c1)C2
InChIInChI=1S/C14H14Cl2N2/c1-8-14-12(16)6-10(7-13(14)18-17-8)9-3-2-4-11(15)5-9/h2-5,10,12H,6-7H2,1H3,(H,17,18)
InChIKeyLZUKNUGCDLPMET-UHFFFAOYSA-N
XLogP4.38
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.19
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[3-(3-chlorophenyl)cyclobutyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 136534933
cis-(1S,3R)-3-(3-chlorophenyl)cyclohexan-1-amine
CID 95376050
3-(3-chlorophenyl)azetidine;hydrochloride
CID 72698856
2-(4-amino-3-methyl-4,5,6,7-tetrahydro-2H-indazol-6-yl)phenol
CID 66489494
5-(3-chlorophenyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
CID 115033115
6-(3-chlorophenyl)-N,N-dimethyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine
CID 139771202
1-chloro-3-cyclobutylbenzene;methane
CID 178166077
6-(2-methoxyphenyl)-3-methyl-4,5,6,7-tetrahydro-2H-indazol-4-ol
CID 66489178
(6R)-6-(3-chlorophenyl)-1,5,6,7-tetrahydroindazol-4-one
CID 41386742
3-(3-chlorophenyl)-5-methyl-1H-pyrazol-4-amine
CID 46167948
1-chloro-3-(4-methylsulfonylcyclohexyl)benzene
CID 138533532
6-(2,5-dichlorophenyl)-3-methyl-2,5,6,7-tetrahydroindazol-4-one;hydrochloride
CID 18317678

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(3-chlorophenyl)-3-methyl-4,5,6,7-tetrahydro-2H-indazole?
The IUPAC name of 4-chloro-6-(3-chlorophenyl)-3-methyl-4,5,6,7-tetrahydro-2H-indazole (CID 66489571) is 4-chloro-6-(3-chlorophenyl)-3-methyl-4,5,6,7-tetrahydro-2H-indazole.
What is the SMILES notation for 4-chloro-6-(3-chlorophenyl)-3-methyl-4,5,6,7-tetrahydro-2H-indazole?
The canonical SMILES for 4-chloro-6-(3-chlorophenyl)-3-methyl-4,5,6,7-tetrahydro-2H-indazole is Cc1[nH]nc2c1C(Cl)CC(c1cccc(Cl)c1)C2.
What is the InChIKey of 4-chloro-6-(3-chlorophenyl)-3-methyl-4,5,6,7-tetrahydro-2H-indazole?
The InChIKey is LZUKNUGCDLPMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2/c1-8-14-12(16)6-10(7-13(14)18-17-8)9-3-2-4-11(15)5-9/h2-5,10,12H,6-7H2,1H3,(H,17,18).
What are the key properties of 4-chloro-6-(3-chlorophenyl)-3-methyl-4,5,6,7-tetrahydro-2H-indazole?
4-chloro-6-(3-chlorophenyl)-3-methyl-4,5,6,7-tetrahydro-2H-indazole has a molecular weight of 281.19 g/mol, XLogP of 4.38, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(3-chlorophenyl)-3-methyl-4,5,6,7-tetrahydro-2H-indazole is sourced from PubChem (CID 66489571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).