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

C19H27N3O2 — CID 110537126

IUPAC3-(3-ethoxy-4-propoxyphenyl)-5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCCCOc1ccc(-c2n[nH]c3c2CN(CC)CC3)cc1OCC
InChIInChI=1S/C19H27N3O2/c1-4-11-24-17-8-7-14(12-18(17)23-6-3)19-15-13-22(5-2)10-9-16(15)20-21-19/h7-8,12H,4-6,9-11,13H2,1-3H3,(H,20,21)
InChIKeyPCIWKLIXUQTEFS-UHFFFAOYSA-N
MW329.44 g/mol
LogP3.64
Rot. Bonds7

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

3-(3-ethoxy-4-propoxyphenyl)-5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (PubChem CID 110537126) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 3-(3-ethoxy-4-propoxyphenyl)-5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-(3-ethoxy-4-propoxyphenyl)-5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
PubChem CID110537126
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name3-(3-ethoxy-4-propoxyphenyl)-5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCCCOc1ccc(-c2n[nH]c3c2CN(CC)CC3)cc1OCC
InChIInChI=1S/C19H27N3O2/c1-4-11-24-17-8-7-14(12-18(17)23-6-3)19-15-13-22(5-2)10-9-16(15)20-21-19/h7-8,12H,4-6,9-11,13H2,1-3H3,(H,20,21)
InChIKeyPCIWKLIXUQTEFS-UHFFFAOYSA-N
XLogP3.64
TPSA50.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-ethoxy-4-pentoxyphenyl)-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110536275
3-(4-methoxy-3-propoxyphenyl)-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110538538
3-(3-bromo-4-ethoxyphenyl)-5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110534816
5-(5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-2-methoxyphenol
CID 110539705
3-[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]-5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110530271
3-(4-ethoxy-3-nitrophenyl)-5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110537099
3-(3-chloro-4-phenylmethoxyphenyl)-5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110534516
3-(4-bromophenyl)-5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110538299
3-(4-ethoxyphenyl)-5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110539266
3-(4-tert-butylphenyl)-5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110539351
(4-butoxy-3-ethoxyphenyl)-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
CID 108750248

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethoxy-4-propoxyphenyl)-5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The IUPAC name of 3-(3-ethoxy-4-propoxyphenyl)-5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (CID 110537126) is 3-(3-ethoxy-4-propoxyphenyl)-5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-(3-ethoxy-4-propoxyphenyl)-5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-(3-ethoxy-4-propoxyphenyl)-5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is CCCOc1ccc(-c2n[nH]c3c2CN(CC)CC3)cc1OCC.
What is the InChIKey of 3-(3-ethoxy-4-propoxyphenyl)-5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The InChIKey is PCIWKLIXUQTEFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-4-11-24-17-8-7-14(12-18(17)23-6-3)19-15-13-22(5-2)10-9-16(15)20-21-19/h7-8,12H,4-6,9-11,13H2,1-3H3,(H,20,21).
What are the key properties of 3-(3-ethoxy-4-propoxyphenyl)-5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
3-(3-ethoxy-4-propoxyphenyl)-5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine has a molecular weight of 329.44 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxy-4-propoxyphenyl)-5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 110537126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).