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

C16H23N3O2 — CID 110539098

IUPAC3-(3-ethoxy-2-methoxyphenyl)-5-methyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine
SMILESCCOc1cccc(C2NN=C3CCN(C)CC32)c1OC
InChIInChI=1S/C16H23N3O2/c1-4-21-14-7-5-6-11(16(14)20-3)15-12-10-19(2)9-8-13(12)17-18-15/h5-7,12,15,18H,4,8-10H2,1-3H3
InChIKeyNMMUJKJVQCGOGG-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.05
Rot. Bonds4

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

3-(3-ethoxy-2-methoxyphenyl)-5-methyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine (PubChem CID 110539098) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 3-(3-ethoxy-2-methoxyphenyl)-5-methyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-(3-ethoxy-2-methoxyphenyl)-5-methyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine
PubChem CID110539098
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name3-(3-ethoxy-2-methoxyphenyl)-5-methyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine
SMILESCCOc1cccc(C2NN=C3CCN(C)CC32)c1OC
InChIInChI=1S/C16H23N3O2/c1-4-21-14-7-5-6-11(16(14)20-3)15-12-10-19(2)9-8-13(12)17-18-15/h5-7,12,15,18H,4,8-10H2,1-3H3
InChIKeyNMMUJKJVQCGOGG-UHFFFAOYSA-N
XLogP2.05
TPSA46.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

3-(2,3-dimethoxyphenyl)-5-methyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine
CID 110539613
3-(4-ethoxy-3,5-dimethoxyphenyl)-5-methyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine
CID 110537640
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-hexoxy-3-methoxyphenyl)-5-methyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine
CID 110536143
3-(4-ethoxy-3-methoxyphenyl)-5-propyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine
CID 110537733
5-benzyl-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine
CID 110532453
3-(3-ethoxy-4-methoxyphenyl)-5-ethyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine
CID 110538410
3-(2,4-dimethoxyphenyl)-5-ethyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine
CID 110539102
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
3-(2-ethoxyphenyl)-1-methyl-4-nitropyrrolidine
CID 134162661

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethoxy-2-methoxyphenyl)-5-methyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine?
The IUPAC name of 3-(3-ethoxy-2-methoxyphenyl)-5-methyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine (CID 110539098) is 3-(3-ethoxy-2-methoxyphenyl)-5-methyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-(3-ethoxy-2-methoxyphenyl)-5-methyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-(3-ethoxy-2-methoxyphenyl)-5-methyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine is CCOc1cccc(C2NN=C3CCN(C)CC32)c1OC.
What is the InChIKey of 3-(3-ethoxy-2-methoxyphenyl)-5-methyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine?
The InChIKey is NMMUJKJVQCGOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-4-21-14-7-5-6-11(16(14)20-3)15-12-10-19(2)9-8-13(12)17-18-15/h5-7,12,15,18H,4,8-10H2,1-3H3.
What are the key properties of 3-(3-ethoxy-2-methoxyphenyl)-5-methyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine?
3-(3-ethoxy-2-methoxyphenyl)-5-methyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine has a molecular weight of 289.38 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxy-2-methoxyphenyl)-5-methyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 110539098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).