3-(3-ethoxy-4-pentoxyphenyl)-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine

C20H29N3O2 — CID 110536275

IUPAC3-(3-ethoxy-4-pentoxyphenyl)-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCCCCCOc1ccc(-c2n[nH]c3c2CN(C)CC3)cc1OCC
InChIInChI=1S/C20H29N3O2/c1-4-6-7-12-25-18-9-8-15(13-19(18)24-5-2)20-16-14-23(3)11-10-17(16)21-22-20/h8-9,13H,4-7,10-12,14H2,1-3H3,(H,21,22)
InChIKeyAAVHJXAZSOUYIJ-UHFFFAOYSA-N
MW343.47 g/mol
LogP4.03
Rot. Bonds8

About 3-(3-ethoxy-4-pentoxyphenyl)-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine

3-(3-ethoxy-4-pentoxyphenyl)-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (PubChem CID 110536275) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 3-(3-ethoxy-4-pentoxyphenyl)-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-(3-ethoxy-4-pentoxyphenyl)-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
PubChem CID110536275
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name3-(3-ethoxy-4-pentoxyphenyl)-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCCCCCOc1ccc(-c2n[nH]c3c2CN(C)CC3)cc1OCC
InChIInChI=1S/C20H29N3O2/c1-4-6-7-12-25-18-9-8-15(13-19(18)24-5-2)20-16-14-23(3)11-10-17(16)21-22-20/h8-9,13H,4-7,10-12,14H2,1-3H3,(H,21,22)
InChIKeyAAVHJXAZSOUYIJ-UHFFFAOYSA-N
XLogP4.03
TPSA50.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(4-methoxy-3-propoxyphenyl)-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110538538
3-(3-ethoxy-4-propoxyphenyl)-5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110537126
(4-butoxy-3-ethoxyphenyl)-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
CID 108750248
3-(3-bromo-4-ethoxyphenyl)-5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110534816
3-(4-ethoxy-3-nitrophenyl)-5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110537099
5-methyl-3-(2-propoxyphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110539764
2-[2-ethoxy-4-(5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)phenoxy]-N,N-diethylacetamide
CID 110532395
3-[3-chloro-5-ethoxy-4-(2-methylpropoxy)phenyl]-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110534835
5-methyl-3-[4-(3-phenylpropoxy)phenyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110536009
3-(4-ethoxyphenyl)-5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110539266
4-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)benzoic acid
CID 110540115
5-methyl-3-[4-(trifluoromethyl)phenyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 82585641

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethoxy-4-pentoxyphenyl)-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The IUPAC name of 3-(3-ethoxy-4-pentoxyphenyl)-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (CID 110536275) is 3-(3-ethoxy-4-pentoxyphenyl)-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-(3-ethoxy-4-pentoxyphenyl)-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-(3-ethoxy-4-pentoxyphenyl)-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is CCCCCOc1ccc(-c2n[nH]c3c2CN(C)CC3)cc1OCC.
What is the InChIKey of 3-(3-ethoxy-4-pentoxyphenyl)-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The InChIKey is AAVHJXAZSOUYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-4-6-7-12-25-18-9-8-15(13-19(18)24-5-2)20-16-14-23(3)11-10-17(16)21-22-20/h8-9,13H,4-7,10-12,14H2,1-3H3,(H,21,22).
What are the key properties of 3-(3-ethoxy-4-pentoxyphenyl)-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
3-(3-ethoxy-4-pentoxyphenyl)-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine has a molecular weight of 343.47 g/mol, XLogP of 4.03, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxy-4-pentoxyphenyl)-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 110536275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).