3-[2-(chloromethyl)pentyl]-1-ethylindazole

C15H21ClN2 — CID 66036339

IUPAC3-[2-(chloromethyl)pentyl]-1-ethylindazole
SMILESCCCC(CCl)Cc1nn(CC)c2ccccc12
InChIInChI=1S/C15H21ClN2/c1-3-7-12(11-16)10-14-13-8-5-6-9-15(13)18(4-2)17-14/h5-6,8-9,12H,3-4,7,10-11H2,1-2H3
InChIKeyGBWUNAYFWWFGKX-UHFFFAOYSA-N
MW264.80 g/mol
LogP4.25
Rot. Bonds6

About 3-[2-(chloromethyl)pentyl]-1-ethylindazole

3-[2-(chloromethyl)pentyl]-1-ethylindazole (PubChem CID 66036339) has the molecular formula C15H21ClN2 and a molecular weight of 264.80 g/mol. Its IUPAC name is 3-[2-(chloromethyl)pentyl]-1-ethylindazole.

Molecular Properties

Compound Name3-[2-(chloromethyl)pentyl]-1-ethylindazole
PubChem CID66036339
Molecular FormulaC15H21ClN2
Molecular Weight264.80 g/mol
Exact Mass264.14
IUPAC Name3-[2-(chloromethyl)pentyl]-1-ethylindazole
SMILESCCCC(CCl)Cc1nn(CC)c2ccccc12
InChIInChI=1S/C15H21ClN2/c1-3-7-12(11-16)10-14-13-8-5-6-9-15(13)18(4-2)17-14/h5-6,8-9,12H,3-4,7,10-11H2,1-2H3
InChIKeyGBWUNAYFWWFGKX-UHFFFAOYSA-N
XLogP4.25
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.80
LogP ≤ 54.25
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

3-[2-(chloromethyl)-3,3-dimethylbutyl]-1-ethylindazole
CID 83139466
2-[(1-ethylindazol-3-yl)methyl]-4-methylpentan-1-ol
CID 66059172
3-ethoxy-1-(1-ethylindazol-3-yl)hexan-2-amine
CID 116717506
1-(dimethylamino)-3-(1-ethylindazol-3-yl)propan-2-ol
CID 79087674
1-(1-ethylindazol-3-yl)-3,4-dimethylpentan-2-ol
CID 115813657
4-(1-ethylindazol-3-yl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 115346080
3-(1-ethylindazol-3-yl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 79092614
1-(1-ethylindazol-3-yl)-4-methylhexan-2-ol
CID 115813664
3-[2-(chloromethyl)-2-methylpentyl]-1-ethylindazole
CID 66034467
N-tert-butyl-4-(1-ethylindazol-3-yl)-3-methylbutan-1-amine
CID 81012209
4-cyclopentyl-1-(1-ethylindazol-3-yl)butan-2-ol
CID 115813749
4-amino-1-(1-ethylindazol-3-yl)heptan-2-one
CID 116608024

Frequently Asked Questions

What is the IUPAC name of 3-[2-(chloromethyl)pentyl]-1-ethylindazole?
The IUPAC name of 3-[2-(chloromethyl)pentyl]-1-ethylindazole (CID 66036339) is 3-[2-(chloromethyl)pentyl]-1-ethylindazole.
What is the SMILES notation for 3-[2-(chloromethyl)pentyl]-1-ethylindazole?
The canonical SMILES for 3-[2-(chloromethyl)pentyl]-1-ethylindazole is CCCC(CCl)Cc1nn(CC)c2ccccc12.
What is the InChIKey of 3-[2-(chloromethyl)pentyl]-1-ethylindazole?
The InChIKey is GBWUNAYFWWFGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2/c1-3-7-12(11-16)10-14-13-8-5-6-9-15(13)18(4-2)17-14/h5-6,8-9,12H,3-4,7,10-11H2,1-2H3.
What are the key properties of 3-[2-(chloromethyl)pentyl]-1-ethylindazole?
3-[2-(chloromethyl)pentyl]-1-ethylindazole has a molecular weight of 264.80 g/mol, XLogP of 4.25, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(chloromethyl)pentyl]-1-ethylindazole is sourced from PubChem (CID 66036339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).