3-(azepan-3-ylmethyl)-1-methylindazole

C15H21N3 — CID 104680728

IUPAC3-(azepan-3-ylmethyl)-1-methylindazole
SMILESCn1nc(CC2CCCCNC2)c2ccccc21
InChIInChI=1S/C15H21N3/c1-18-15-8-3-2-7-13(15)14(17-18)10-12-6-4-5-9-16-11-12/h2-3,7-8,12,16H,4-6,9-11H2,1H3
InChIKeyABCYWBIKXLEOHP-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.51
Rot. Bonds2

About 3-(azepan-3-ylmethyl)-1-methylindazole

3-(azepan-3-ylmethyl)-1-methylindazole (PubChem CID 104680728) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 3-(azepan-3-ylmethyl)-1-methylindazole.

Molecular Properties

Compound Name3-(azepan-3-ylmethyl)-1-methylindazole
PubChem CID104680728
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name3-(azepan-3-ylmethyl)-1-methylindazole
SMILESCn1nc(CC2CCCCNC2)c2ccccc21
InChIInChI=1S/C15H21N3/c1-18-15-8-3-2-7-13(15)14(17-18)10-12-6-4-5-9-16-11-12/h2-3,7-8,12,16H,4-6,9-11H2,1H3
InChIKeyABCYWBIKXLEOHP-UHFFFAOYSA-N
XLogP2.51
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-3-(piperidin-4-ylmethyl)indazole
CID 84692872
3-(cyclopropylmethyl)-1-methylindazole
CID 142276732
1,3-dimethyl-4-(piperidin-3-ylmethyl)indazole
CID 117360761
1,7-dimethyl-3-(pyrrolidin-3-ylmethyl)indazole
CID 84692879
3-methyl-1-(piperidin-3-ylmethyl)indazole
CID 82512943
N-methyl-4-[(1-methylindazol-3-yl)methyl]piperidine-2-carboxamide
CID 106780087
1-methyl-N-(pyrrolidin-3-ylmethyl)indazol-3-amine
CID 83840488
N-cyclopentyloxy-1-(1-methylindazol-3-yl)methanamine
CID 83235470
3-[(3-methyl-2-pyridinyl)methyl]azepane
CID 104680698
1-methyl-3-piperidin-3-yloxyindazole
CID 84694858
1-(1-methylindazol-3-yl)-4-piperidin-2-ylbutan-2-one
CID 116563673
4-(piperidin-3-ylmethyl)quinazoline
CID 105484818

Frequently Asked Questions

What is the IUPAC name of 3-(azepan-3-ylmethyl)-1-methylindazole?
The IUPAC name of 3-(azepan-3-ylmethyl)-1-methylindazole (CID 104680728) is 3-(azepan-3-ylmethyl)-1-methylindazole.
What is the SMILES notation for 3-(azepan-3-ylmethyl)-1-methylindazole?
The canonical SMILES for 3-(azepan-3-ylmethyl)-1-methylindazole is Cn1nc(CC2CCCCNC2)c2ccccc21.
What is the InChIKey of 3-(azepan-3-ylmethyl)-1-methylindazole?
The InChIKey is ABCYWBIKXLEOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-18-15-8-3-2-7-13(15)14(17-18)10-12-6-4-5-9-16-11-12/h2-3,7-8,12,16H,4-6,9-11H2,1H3.
What are the key properties of 3-(azepan-3-ylmethyl)-1-methylindazole?
3-(azepan-3-ylmethyl)-1-methylindazole has a molecular weight of 243.35 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azepan-3-ylmethyl)-1-methylindazole is sourced from PubChem (CID 104680728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).