3-[3-chloro-2-(3-chlorophenyl)propyl]-1-methylindazole

C17H16Cl2N2 — CID 79433711

IUPAC3-[3-chloro-2-(3-chlorophenyl)propyl]-1-methylindazole
SMILESCn1nc(CC(CCl)c2cccc(Cl)c2)c2ccccc21
InChIInChI=1S/C17H16Cl2N2/c1-21-17-8-3-2-7-15(17)16(20-21)10-13(11-18)12-5-4-6-14(19)9-12/h2-9,13H,10-11H2,1H3
InChIKeyCSZOQSDIVKNQHH-UHFFFAOYSA-N
MW319.24 g/mol
LogP4.79
Rot. Bonds4

About 3-[3-chloro-2-(3-chlorophenyl)propyl]-1-methylindazole

3-[3-chloro-2-(3-chlorophenyl)propyl]-1-methylindazole (PubChem CID 79433711) has the molecular formula C17H16Cl2N2 and a molecular weight of 319.24 g/mol. Its IUPAC name is 3-[3-chloro-2-(3-chlorophenyl)propyl]-1-methylindazole.

Molecular Properties

Compound Name3-[3-chloro-2-(3-chlorophenyl)propyl]-1-methylindazole
PubChem CID79433711
Molecular FormulaC17H16Cl2N2
Molecular Weight319.24 g/mol
Exact Mass318.07
IUPAC Name3-[3-chloro-2-(3-chlorophenyl)propyl]-1-methylindazole
SMILESCn1nc(CC(CCl)c2cccc(Cl)c2)c2ccccc21
InChIInChI=1S/C17H16Cl2N2/c1-21-17-8-3-2-7-15(17)16(20-21)10-13(11-18)12-5-4-6-14(19)9-12/h2-9,13H,10-11H2,1H3
InChIKeyCSZOQSDIVKNQHH-UHFFFAOYSA-N
XLogP4.79
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.24
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-chlorophenyl)-3-(1-methylindazol-3-yl)propan-1-ol
CID 79431437
3-[3-chloro-2-(2-chlorophenyl)propyl]-1-methylindazole
CID 79437567
2-(3-fluorophenyl)-3-(1-methylindazol-3-yl)propan-1-ol
CID 79431452
3-[3-chloro-2-(2-methylphenyl)propyl]-1-methylindazole
CID 79424447
1-(3,4-dichlorophenyl)-2-(1-methylindazol-3-yl)ethanamine
CID 81494685
2-(3-chlorophenyl)-1-(1-methylindazol-3-yl)ethanamine
CID 103126026
methoxymethane;(1-methylindazol-3-yl)methanol
CID 91551429
2-[3-chloro-2-(3-chlorophenyl)propyl]-1,3,5-trimethylbenzene
CID 79432496
1-(2-chloro-3-fluorophenyl)-2-(1-methylindazol-3-yl)ethanol
CID 115815135
1-(2,5-dichlorothiophen-3-yl)-2-(1-methylindazol-3-yl)ethanamine
CID 107968554
1-(2-chlorofuran-3-yl)-2-(1-methylindazol-3-yl)ethanamine
CID 106692425
2-(1-methylindazol-3-yl)-1-pyrimidin-5-ylethanamine
CID 102923576

Frequently Asked Questions

What is the IUPAC name of 3-[3-chloro-2-(3-chlorophenyl)propyl]-1-methylindazole?
The IUPAC name of 3-[3-chloro-2-(3-chlorophenyl)propyl]-1-methylindazole (CID 79433711) is 3-[3-chloro-2-(3-chlorophenyl)propyl]-1-methylindazole.
What is the SMILES notation for 3-[3-chloro-2-(3-chlorophenyl)propyl]-1-methylindazole?
The canonical SMILES for 3-[3-chloro-2-(3-chlorophenyl)propyl]-1-methylindazole is Cn1nc(CC(CCl)c2cccc(Cl)c2)c2ccccc21.
What is the InChIKey of 3-[3-chloro-2-(3-chlorophenyl)propyl]-1-methylindazole?
The InChIKey is CSZOQSDIVKNQHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2/c1-21-17-8-3-2-7-15(17)16(20-21)10-13(11-18)12-5-4-6-14(19)9-12/h2-9,13H,10-11H2,1H3.
What are the key properties of 3-[3-chloro-2-(3-chlorophenyl)propyl]-1-methylindazole?
3-[3-chloro-2-(3-chlorophenyl)propyl]-1-methylindazole has a molecular weight of 319.24 g/mol, XLogP of 4.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-chloro-2-(3-chlorophenyl)propyl]-1-methylindazole is sourced from PubChem (CID 79433711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).