3-(3-methoxy-4-propoxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-pyrazolo[4,3-c]pyridine

C16H23N3O2 — CID 110539094

IUPAC3-(3-methoxy-4-propoxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-pyrazolo[4,3-c]pyridine
SMILESCCCOc1ccc(C2NN=C3CCNCC32)cc1OC
InChIInChI=1S/C16H23N3O2/c1-3-8-21-14-5-4-11(9-15(14)20-2)16-12-10-17-7-6-13(12)18-19-16/h4-5,9,12,16-17,19H,3,6-8,10H2,1-2H3
InChIKeyMMJWFXHSRVAIPT-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.09
Rot. Bonds5

About 3-(3-methoxy-4-propoxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-pyrazolo[4,3-c]pyridine

3-(3-methoxy-4-propoxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-pyrazolo[4,3-c]pyridine (PubChem CID 110539094) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 3-(3-methoxy-4-propoxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-(3-methoxy-4-propoxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-pyrazolo[4,3-c]pyridine
PubChem CID110539094
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name3-(3-methoxy-4-propoxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-pyrazolo[4,3-c]pyridine
SMILESCCCOc1ccc(C2NN=C3CCNCC32)cc1OC
InChIInChI=1S/C16H23N3O2/c1-3-8-21-14-5-4-11(9-15(14)20-2)16-12-10-17-7-6-13(12)18-19-16/h4-5,9,12,16-17,19H,3,6-8,10H2,1-2H3
InChIKeyMMJWFXHSRVAIPT-UHFFFAOYSA-N
XLogP2.09
TPSA54.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(3-methoxy-4-propoxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-pyrazolo[4,3-c]pyridine with MolForge

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Related Compounds

3-(4-hexoxy-3-methoxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-pyrazolo[4,3-c]pyridine
CID 110537027
4-(3,3a,4,5,6,7-hexahydro-2H-pyrazolo[4,3-c]pyridin-3-yl)-2-ethoxyphenol
CID 110539997
3-(3-methoxy-4-pentoxyphenyl)-5-propyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine
CID 110535156
3-(4-hexoxy-3-methoxyphenyl)-5-methyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine
CID 110536143
3-(2,4,5-trimethoxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-pyrazolo[4,3-c]pyridine
CID 110539018
3-(4-ethoxy-3-methoxyphenyl)-5-propyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine
CID 110537733
3-(3-methoxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-pyrazolo[4,3-c]pyridine
CID 110540532
3-(4-ethoxy-3-methoxy-5-nitrophenyl)-3,3a,4,5,6,7-hexahydro-2H-pyrazolo[4,3-c]pyridine
CID 110537589
3-(3-ethoxy-4-methoxyphenyl)-5-ethyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine
CID 110538410
3-[4-[(2,5-dimethylphenyl)methoxy]-3-methoxy-5-nitrophenyl]-3,3a,4,5,6,7-hexahydro-2H-pyrazolo[4,3-c]pyridine
CID 110531843
3-[3-[(4-chlorophenyl)methoxy]phenyl]-3,3a,4,5,6,7-hexahydro-2H-pyrazolo[4,3-c]pyridine
CID 110536407
2-(3-methoxy-4-propoxyphenyl)cyclopropane-1-sulfonyl chloride
CID 82368542

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-4-propoxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-pyrazolo[4,3-c]pyridine?
The IUPAC name of 3-(3-methoxy-4-propoxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-pyrazolo[4,3-c]pyridine (CID 110539094) is 3-(3-methoxy-4-propoxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-(3-methoxy-4-propoxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-(3-methoxy-4-propoxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-pyrazolo[4,3-c]pyridine is CCCOc1ccc(C2NN=C3CCNCC32)cc1OC.
What is the InChIKey of 3-(3-methoxy-4-propoxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-pyrazolo[4,3-c]pyridine?
The InChIKey is MMJWFXHSRVAIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-3-8-21-14-5-4-11(9-15(14)20-2)16-12-10-17-7-6-13(12)18-19-16/h4-5,9,12,16-17,19H,3,6-8,10H2,1-2H3.
What are the key properties of 3-(3-methoxy-4-propoxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-pyrazolo[4,3-c]pyridine?
3-(3-methoxy-4-propoxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-pyrazolo[4,3-c]pyridine has a molecular weight of 289.38 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxy-4-propoxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 110539094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).