7-(3-chloropropyl)-3-methyl-2H-indazole

C11H13ClN2 — CID 166949674

IUPAC7-(3-chloropropyl)-3-methyl-2H-indazole
SMILESCc1[nH]nc2c(CCCCl)cccc12
InChIInChI=1S/C11H13ClN2/c1-8-10-6-2-4-9(5-3-7-12)11(10)14-13-8/h2,4,6H,3,5,7H2,1H3,(H,13,14)
InChIKeyZMJYBTZQRIYRFS-UHFFFAOYSA-N
MW208.69 g/mol
LogP3.04
Rot. Bonds3

About 7-(3-chloropropyl)-3-methyl-2H-indazole

7-(3-chloropropyl)-3-methyl-2H-indazole (PubChem CID 166949674) has the molecular formula C11H13ClN2 and a molecular weight of 208.69 g/mol. Its IUPAC name is 7-(3-chloropropyl)-3-methyl-2H-indazole.

Molecular Properties

Compound Name7-(3-chloropropyl)-3-methyl-2H-indazole
PubChem CID166949674
Molecular FormulaC11H13ClN2
Molecular Weight208.69 g/mol
Exact Mass208.08
IUPAC Name7-(3-chloropropyl)-3-methyl-2H-indazole
SMILESCc1[nH]nc2c(CCCCl)cccc12
InChIInChI=1S/C11H13ClN2/c1-8-10-6-2-4-9(5-3-7-12)11(10)14-13-8/h2,4,6H,3,5,7H2,1H3,(H,13,14)
InChIKeyZMJYBTZQRIYRFS-UHFFFAOYSA-N
XLogP3.04
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.69
LogP ≤ 53.04
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

3-methyl-1H-indazole
CID 820804
7-Methyl-1H-indazole
CID 820797
3-(4-chlorophenyl)-4,5,6,7-tetrahydro-1H-indazole
CID 2767228
2-(3-methyl-1H-pyrazol-5-yl)aniline
CID 713168
3-Chloro-1H-indazole
CID 95894
6-Fluoro-3-phenyl-1H-indazole
CID 164611597
3-phenyl-1H-indazole
CID 300385
1H-Indazole-3-carbonitrile
CID 437556
4,5,6,7-Tetrahydro-3-phenyl-1H-indazole
CID 120034
5-Methyl-3-phenyl-1H-indazole
CID 610412
3-(Trifluoromethyl)-2H-indazole
CID 21407816
1H-Indazole-3-carbothioamide
CID 12262775

Frequently Asked Questions

What is the IUPAC name of 7-(3-chloropropyl)-3-methyl-2H-indazole?
The IUPAC name of 7-(3-chloropropyl)-3-methyl-2H-indazole (CID 166949674) is 7-(3-chloropropyl)-3-methyl-2H-indazole.
What is the SMILES notation for 7-(3-chloropropyl)-3-methyl-2H-indazole?
The canonical SMILES for 7-(3-chloropropyl)-3-methyl-2H-indazole is Cc1[nH]nc2c(CCCCl)cccc12.
What is the InChIKey of 7-(3-chloropropyl)-3-methyl-2H-indazole?
The InChIKey is ZMJYBTZQRIYRFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2/c1-8-10-6-2-4-9(5-3-7-12)11(10)14-13-8/h2,4,6H,3,5,7H2,1H3,(H,13,14).
What are the key properties of 7-(3-chloropropyl)-3-methyl-2H-indazole?
7-(3-chloropropyl)-3-methyl-2H-indazole has a molecular weight of 208.69 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-chloropropyl)-3-methyl-2H-indazole is sourced from PubChem (CID 166949674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).