3-(4-methoxyphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole

C14H20N2O — CID 53407712

IUPAC3-(4-methoxyphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole
SMILESCOc1ccc(C2NNC3CCCCC32)cc1
InChIInChI=1S/C14H20N2O/c1-17-11-8-6-10(7-9-11)14-12-4-2-3-5-13(12)15-16-14/h6-9,12-16H,2-5H2,1H3
InChIKeyQJBIPMPQSLBCGV-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.40
Rot. Bonds2

About 3-(4-methoxyphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole

3-(4-methoxyphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole (PubChem CID 53407712) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole
PubChem CID53407712
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name3-(4-methoxyphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole
SMILESCOc1ccc(C2NNC3CCCCC32)cc1
InChIInChI=1S/C14H20N2O/c1-17-11-8-6-10(7-9-11)14-12-4-2-3-5-13(12)15-16-14/h6-9,12-16H,2-5H2,1H3
InChIKeyQJBIPMPQSLBCGV-UHFFFAOYSA-N
XLogP2.40
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(4-methoxyphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methoxy-4-[(1S,2R)-2-methoxycyclohexyl]benzene
CID 138979383
1-methoxy-4-[2-(4-methoxyphenyl)cyclohexyl]benzene
CID 101244821
9-(4-methoxyphenyl)-2,3,4,4a,5,6,7,8,8a,9,9a,10a-dodecahydro-1H-thioxanthene
CID 15123211
(2S,4aS,8aS)-2-(4-methoxyphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline
CID 51654739
bromomethane;1-cyclopentyl-4-methoxybenzene
CID 160663013
(4S)-4-(4-methoxyphenyl)azepane
CID 95439149
(4aS,5R,10bS)-5-(4-methoxyphenyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
CID 11369917
N-[3-(4-methoxyphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl]-2-(trifluoromethyl)quinazolin-4-amine
CID 75786779
5-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-3-(4-methoxyphenyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine
CID 74546182
(2S)-2-(4-methoxyphenyl)azetidine
CID 55278634
3-fluoro-2-(4-methoxyphenyl)pyrrolidine;hydrochloride
CID 115038605
2-cyclopentyl-6-methoxynaphthalene
CID 67100251

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole?
The IUPAC name of 3-(4-methoxyphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole (CID 53407712) is 3-(4-methoxyphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole.
What is the SMILES notation for 3-(4-methoxyphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole?
The canonical SMILES for 3-(4-methoxyphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole is COc1ccc(C2NNC3CCCCC32)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole?
The InChIKey is QJBIPMPQSLBCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-17-11-8-6-10(7-9-11)14-12-4-2-3-5-13(12)15-16-14/h6-9,12-16H,2-5H2,1H3.
What are the key properties of 3-(4-methoxyphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole?
3-(4-methoxyphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole has a molecular weight of 232.33 g/mol, XLogP of 2.40, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole is sourced from PubChem (CID 53407712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).