3-(2,3-dimethoxyphenyl)-5-methyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine

C15H21N3O2 — CID 110539613

IUPAC3-(2,3-dimethoxyphenyl)-5-methyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine
SMILESCOc1cccc(C2NN=C3CCN(C)CC32)c1OC
InChIInChI=1S/C15H21N3O2/c1-18-8-7-12-11(9-18)14(17-16-12)10-5-4-6-13(19-2)15(10)20-3/h4-6,11,14,17H,7-9H2,1-3H3
InChIKeyTXJQZVPHNPIAIW-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.66
Rot. Bonds3

About 3-(2,3-dimethoxyphenyl)-5-methyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine

3-(2,3-dimethoxyphenyl)-5-methyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine (PubChem CID 110539613) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 3-(2,3-dimethoxyphenyl)-5-methyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-(2,3-dimethoxyphenyl)-5-methyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine
PubChem CID110539613
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name3-(2,3-dimethoxyphenyl)-5-methyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine
SMILESCOc1cccc(C2NN=C3CCN(C)CC32)c1OC
InChIInChI=1S/C15H21N3O2/c1-18-8-7-12-11(9-18)14(17-16-12)10-5-4-6-13(19-2)15(10)20-3/h4-6,11,14,17H,7-9H2,1-3H3
InChIKeyTXJQZVPHNPIAIW-UHFFFAOYSA-N
XLogP1.66
TPSA46.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(2,3-dimethoxyphenyl)-5-methyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine with MolForge

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Related Compounds

3-(3-ethoxy-2-methoxyphenyl)-5-methyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine
CID 110539098
2-bromo-6-methoxy-3-(5-methyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridin-3-yl)phenol
CID 110536520
3-(1H-indol-3-yl)-5-methyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine
CID 110540148
3-(4-ethoxy-3,5-dimethoxyphenyl)-5-methyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine
CID 110537640
3-(4-hexoxy-3-methoxyphenyl)-5-methyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine
CID 110536143
5-benzyl-3-(3,4,5-trimethoxyphenyl)-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine
CID 110533658
3-(3,5-dichloro-4-propan-2-yloxyphenyl)-5-methyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine
CID 110536371
1-cyclopropyl-2,3-dimethoxybenzene
CID 22923325
3-(4-ethoxy-3-methoxyphenyl)-5-propyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine
CID 110537733
(4aR,10bS)-7-methoxy-2-methyl-1,3,4,4a,5,10b-hexahydrochromeno[4,3-c]pyridine;hydrochloride
CID 70426824
5-benzyl-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine
CID 110532453
6-(2,3-dimethoxyphenyl)-3-azabicyclo[3.1.0]hexane
CID 83822143

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethoxyphenyl)-5-methyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine?
The IUPAC name of 3-(2,3-dimethoxyphenyl)-5-methyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine (CID 110539613) is 3-(2,3-dimethoxyphenyl)-5-methyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-(2,3-dimethoxyphenyl)-5-methyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-(2,3-dimethoxyphenyl)-5-methyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine is COc1cccc(C2NN=C3CCN(C)CC32)c1OC.
What is the InChIKey of 3-(2,3-dimethoxyphenyl)-5-methyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine?
The InChIKey is TXJQZVPHNPIAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-18-8-7-12-11(9-18)14(17-16-12)10-5-4-6-13(19-2)15(10)20-3/h4-6,11,14,17H,7-9H2,1-3H3.
What are the key properties of 3-(2,3-dimethoxyphenyl)-5-methyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine?
3-(2,3-dimethoxyphenyl)-5-methyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine has a molecular weight of 275.35 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethoxyphenyl)-5-methyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 110539613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).