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

C17H25N3O3 — CID 110537640

IUPAC3-(4-ethoxy-3,5-dimethoxyphenyl)-5-methyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine
SMILESCCOc1c(OC)cc(C2NN=C3CCN(C)CC32)cc1OC
InChIInChI=1S/C17H25N3O3/c1-5-23-17-14(21-3)8-11(9-15(17)22-4)16-12-10-20(2)7-6-13(12)18-19-16/h8-9,12,16,19H,5-7,10H2,1-4H3
InChIKeyGHVGPTDGJQUXFD-UHFFFAOYSA-N
MW319.41 g/mol
LogP2.05
Rot. Bonds5

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

3-(4-ethoxy-3,5-dimethoxyphenyl)-5-methyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine (PubChem CID 110537640) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is 3-(4-ethoxy-3,5-dimethoxyphenyl)-5-methyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-(4-ethoxy-3,5-dimethoxyphenyl)-5-methyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine
PubChem CID110537640
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC Name3-(4-ethoxy-3,5-dimethoxyphenyl)-5-methyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine
SMILESCCOc1c(OC)cc(C2NN=C3CCN(C)CC32)cc1OC
InChIInChI=1S/C17H25N3O3/c1-5-23-17-14(21-3)8-11(9-15(17)22-4)16-12-10-20(2)7-6-13(12)18-19-16/h8-9,12,16,19H,5-7,10H2,1-4H3
InChIKeyGHVGPTDGJQUXFD-UHFFFAOYSA-N
XLogP2.05
TPSA55.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxy-3,5-dimethoxyphenyl)-5-methyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine?
The IUPAC name of 3-(4-ethoxy-3,5-dimethoxyphenyl)-5-methyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine (CID 110537640) is 3-(4-ethoxy-3,5-dimethoxyphenyl)-5-methyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-(4-ethoxy-3,5-dimethoxyphenyl)-5-methyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-(4-ethoxy-3,5-dimethoxyphenyl)-5-methyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine is CCOc1c(OC)cc(C2NN=C3CCN(C)CC32)cc1OC.
What is the InChIKey of 3-(4-ethoxy-3,5-dimethoxyphenyl)-5-methyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine?
The InChIKey is GHVGPTDGJQUXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-5-23-17-14(21-3)8-11(9-15(17)22-4)16-12-10-20(2)7-6-13(12)18-19-16/h8-9,12,16,19H,5-7,10H2,1-4H3.
What are the key properties of 3-(4-ethoxy-3,5-dimethoxyphenyl)-5-methyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine?
3-(4-ethoxy-3,5-dimethoxyphenyl)-5-methyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine has a molecular weight of 319.41 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxy-3,5-dimethoxyphenyl)-5-methyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 110537640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).