3-(azocan-1-yl)-1H-indazole

C14H19N3 — CID 178043244

IUPAC3-(azocan-1-yl)-1H-indazole
SMILESc1ccc2c(N3CCCCCCC3)n[nH]c2c1
InChIInChI=1S/C14H19N3/c1-2-6-10-17(11-7-3-1)14-12-8-4-5-9-13(12)15-16-14/h4-5,8-9H,1-3,6-7,10-11H2,(H,15,16)
InChIKeyUKJXIYTTZOJZIR-UHFFFAOYSA-N
MW229.33 g/mol
LogP3.33
Rot. Bonds1

About 3-(azocan-1-yl)-1H-indazole

3-(azocan-1-yl)-1H-indazole (PubChem CID 178043244) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 3-(azocan-1-yl)-1H-indazole.

Molecular Properties

Compound Name3-(azocan-1-yl)-1H-indazole
PubChem CID178043244
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name3-(azocan-1-yl)-1H-indazole
SMILESc1ccc2c(N3CCCCCCC3)n[nH]c2c1
InChIInChI=1S/C14H19N3/c1-2-6-10-17(11-7-3-1)14-12-8-4-5-9-13(12)15-16-14/h4-5,8-9H,1-3,6-7,10-11H2,(H,15,16)
InChIKeyUKJXIYTTZOJZIR-UHFFFAOYSA-N
XLogP3.33
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;3-(4-methylpiperazin-1-yl)-1H-indazole
CID 54533851
5-chloro-3-pyrrolidin-1-yl-1H-indazole
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3-[4-(2-pyrrolidin-2-ylethyl)piperazin-1-yl]-1H-indazole
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3-piperidin-1-yl-1H-indazole-5-sulfinic acid
CID 90745545
[1-(1H-indazol-3-yl)pyrrolidin-3-yl]methanamine
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1-[(3R)-1-(1H-indazol-3-yl)piperidin-3-yl]but-3-en-2-one
CID 160821976
3-(2-pyrrolidin-1-yl-4-pyridinyl)-1H-indazole
CID 85472972
2-(1H-indazol-3-yl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 62687658
2-[1-(1H-indazol-3-yl)pyrrolidin-3-yl]acetic acid
CID 82622618
N-(1H-indazol-3-yl)-2-piperidin-1-ylbenzamide
CID 126622679
3-(5,6-dihydro-1H-pyridazin-2-yl)-1H-indazole
CID 67545424
3-(1H-indazol-3-yl)-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 62686224

Frequently Asked Questions

What is the IUPAC name of 3-(azocan-1-yl)-1H-indazole?
The IUPAC name of 3-(azocan-1-yl)-1H-indazole (CID 178043244) is 3-(azocan-1-yl)-1H-indazole.
What is the SMILES notation for 3-(azocan-1-yl)-1H-indazole?
The canonical SMILES for 3-(azocan-1-yl)-1H-indazole is c1ccc2c(N3CCCCCCC3)n[nH]c2c1.
What is the InChIKey of 3-(azocan-1-yl)-1H-indazole?
The InChIKey is UKJXIYTTZOJZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-2-6-10-17(11-7-3-1)14-12-8-4-5-9-13(12)15-16-14/h4-5,8-9H,1-3,6-7,10-11H2,(H,15,16).
What are the key properties of 3-(azocan-1-yl)-1H-indazole?
3-(azocan-1-yl)-1H-indazole has a molecular weight of 229.33 g/mol, XLogP of 3.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azocan-1-yl)-1H-indazole is sourced from PubChem (CID 178043244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).