3-pyridin-4-yl-3,3a,4,5-tetrahydro-2H-benzo[g]indazole

C16H15N3 — CID 152764541

IUPAC3-pyridin-4-yl-3,3a,4,5-tetrahydro-2H-benzo[g]indazole
SMILESc1ccc2c(c1)CCC1C2=NNC1c1ccncc1
InChIInChI=1S/C16H15N3/c1-2-4-13-11(3-1)5-6-14-15(18-19-16(13)14)12-7-9-17-10-8-12/h1-4,7-10,14-15,18H,5-6H2
InChIKeyXBEZWURBWNTFOX-UHFFFAOYSA-N
MW249.32 g/mol
LogP2.69
Rot. Bonds1

About 3-pyridin-4-yl-3,3a,4,5-tetrahydro-2H-benzo[g]indazole

3-pyridin-4-yl-3,3a,4,5-tetrahydro-2H-benzo[g]indazole (PubChem CID 152764541) has the molecular formula C16H15N3 and a molecular weight of 249.32 g/mol. Its IUPAC name is 3-pyridin-4-yl-3,3a,4,5-tetrahydro-2H-benzo[g]indazole.

Molecular Properties

Compound Name3-pyridin-4-yl-3,3a,4,5-tetrahydro-2H-benzo[g]indazole
PubChem CID152764541
Molecular FormulaC16H15N3
Molecular Weight249.32 g/mol
Exact Mass249.13
IUPAC Name3-pyridin-4-yl-3,3a,4,5-tetrahydro-2H-benzo[g]indazole
SMILESc1ccc2c(c1)CCC1C2=NNC1c1ccncc1
InChIInChI=1S/C16H15N3/c1-2-4-13-11(3-1)5-6-14-15(18-19-16(13)14)12-7-9-17-10-8-12/h1-4,7-10,14-15,18H,5-6H2
InChIKeyXBEZWURBWNTFOX-UHFFFAOYSA-N
XLogP2.69
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,3a,4,5-tetrahydro-2H-benzo[g]indazol-3-yl)-N,N-dimethylaniline
CID 10517706
3-(3,4,5-trimethoxyphenyl)-3,3a,4,5-tetrahydro-2H-benzo[g]indazole
CID 45028888
7-methoxy-3-(4-phenylphenyl)-3,3a,4,5-tetrahydro-2H-benzo[g]indazole
CID 134107340
4-(3,5-dibromo-4-methoxyphenyl)-4,4a,5,6-tetrahydro-3H-benzo[h]quinazolin-2-one
CID 123565422
4-(4-hydroxy-3-methylphenyl)-4,4a,5,6-tetrahydro-3H-benzo[h]quinazolin-2-one
CID 123958823
6-fluoro-3-phenyl-2,3,3a,4-tetrahydrochromeno[4,3-c]pyrazole
CID 68593869
4-[(1aR,7bR)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl]pyridine
CID 10443504
(3R,3aS)-3-(4-chlorophenyl)-2-methyl-3,3a,4,5-tetrahydrobenzo[g]indazole
CID 6925640
7-(4-chlorophenyl)-5,6,6a,7-tetrahydronaphtho[2,1-c][1,5]benzothiazepine
CID 616851
5,6-dihydrobenzo[f]isoquinoline
CID 14566470
(2R)-1-oxo-3,4-dihydro-2H-naphthalene-2-carbaldehyde
CID 98051177
6-(3-methoxyphenyl)-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,11,13-tetraene-4-thione
CID 170919807

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-4-yl-3,3a,4,5-tetrahydro-2H-benzo[g]indazole?
The IUPAC name of 3-pyridin-4-yl-3,3a,4,5-tetrahydro-2H-benzo[g]indazole (CID 152764541) is 3-pyridin-4-yl-3,3a,4,5-tetrahydro-2H-benzo[g]indazole.
What is the SMILES notation for 3-pyridin-4-yl-3,3a,4,5-tetrahydro-2H-benzo[g]indazole?
The canonical SMILES for 3-pyridin-4-yl-3,3a,4,5-tetrahydro-2H-benzo[g]indazole is c1ccc2c(c1)CCC1C2=NNC1c1ccncc1.
What is the InChIKey of 3-pyridin-4-yl-3,3a,4,5-tetrahydro-2H-benzo[g]indazole?
The InChIKey is XBEZWURBWNTFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3/c1-2-4-13-11(3-1)5-6-14-15(18-19-16(13)14)12-7-9-17-10-8-12/h1-4,7-10,14-15,18H,5-6H2.
What are the key properties of 3-pyridin-4-yl-3,3a,4,5-tetrahydro-2H-benzo[g]indazole?
3-pyridin-4-yl-3,3a,4,5-tetrahydro-2H-benzo[g]indazole has a molecular weight of 249.32 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-4-yl-3,3a,4,5-tetrahydro-2H-benzo[g]indazole is sourced from PubChem (CID 152764541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).