5-ethyl-3-[2-[(4-methylphenyl)methoxy]phenyl]-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine

C22H27N3O — CID 110535872

IUPAC5-ethyl-3-[2-[(4-methylphenyl)methoxy]phenyl]-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine
SMILESCCN1CCC2=NNC(c3ccccc3OCc3ccc(C)cc3)C2C1
InChIInChI=1S/C22H27N3O/c1-3-25-13-12-20-19(14-25)22(24-23-20)18-6-4-5-7-21(18)26-15-17-10-8-16(2)9-11-17/h4-11,19,22,24H,3,12-15H2,1-2H3
InChIKeyKXEQFKTVPWEAST-UHFFFAOYSA-N
MW349.48 g/mol
LogP3.92
Rot. Bonds5

About 5-ethyl-3-[2-[(4-methylphenyl)methoxy]phenyl]-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine

5-ethyl-3-[2-[(4-methylphenyl)methoxy]phenyl]-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine (PubChem CID 110535872) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is 5-ethyl-3-[2-[(4-methylphenyl)methoxy]phenyl]-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name5-ethyl-3-[2-[(4-methylphenyl)methoxy]phenyl]-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine
PubChem CID110535872
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC Name5-ethyl-3-[2-[(4-methylphenyl)methoxy]phenyl]-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine
SMILESCCN1CCC2=NNC(c3ccccc3OCc3ccc(C)cc3)C2C1
InChIInChI=1S/C22H27N3O/c1-3-25-13-12-20-19(14-25)22(24-23-20)18-6-4-5-7-21(18)26-15-17-10-8-16(2)9-11-17/h4-11,19,22,24H,3,12-15H2,1-2H3
InChIKeyKXEQFKTVPWEAST-UHFFFAOYSA-N
XLogP3.92
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-ethyl-3-[2-[(4-methylphenyl)methoxy]phenyl]-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine with MolForge

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Related Compounds

3-(2,3-dichlorophenyl)-5-ethyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine
CID 110538691
3-[2-[(4-methylphenyl)methoxy]phenyl]-1,4,5-triazatricyclo[5.2.2.02,6]undec-5-ene
CID 110536003
3-(3-ethoxy-4-methoxyphenyl)-5-ethyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine
CID 110538410
3-(3-ethoxy-2-methoxyphenyl)-5-methyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine
CID 110539098
2-chloro-4-(5-ethyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridin-3-yl)-6-methoxyphenol
CID 110538142
5-benzyl-3-(4-chlorophenyl)-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine
CID 110537338
1-fluoro-4-[2-[(4-methylphenyl)methoxy]phenyl]benzene
CID 123297454
1-iodo-2-[(4-methylphenyl)methoxy]benzene
CID 63530114
2-bromo-6-methoxy-3-(5-methyl-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridin-3-yl)phenol
CID 110536520
5-[2-[(4-methylphenyl)methoxy]phenyl]-1H-1,2,4-triazole
CID 75388829
(4S)-3-methyl-4-[2-[(4-methylphenyl)methoxy]phenyl]-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 136759770
1-[6-methyl-4-[2-[(4-methylphenyl)methoxy]phenyl]-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanone
CID 110529371

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-[2-[(4-methylphenyl)methoxy]phenyl]-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine?
The IUPAC name of 5-ethyl-3-[2-[(4-methylphenyl)methoxy]phenyl]-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine (CID 110535872) is 5-ethyl-3-[2-[(4-methylphenyl)methoxy]phenyl]-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine.
What is the SMILES notation for 5-ethyl-3-[2-[(4-methylphenyl)methoxy]phenyl]-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine?
The canonical SMILES for 5-ethyl-3-[2-[(4-methylphenyl)methoxy]phenyl]-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine is CCN1CCC2=NNC(c3ccccc3OCc3ccc(C)cc3)C2C1.
What is the InChIKey of 5-ethyl-3-[2-[(4-methylphenyl)methoxy]phenyl]-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine?
The InChIKey is KXEQFKTVPWEAST-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O/c1-3-25-13-12-20-19(14-25)22(24-23-20)18-6-4-5-7-21(18)26-15-17-10-8-16(2)9-11-17/h4-11,19,22,24H,3,12-15H2,1-2H3.
What are the key properties of 5-ethyl-3-[2-[(4-methylphenyl)methoxy]phenyl]-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine?
5-ethyl-3-[2-[(4-methylphenyl)methoxy]phenyl]-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine has a molecular weight of 349.48 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-[2-[(4-methylphenyl)methoxy]phenyl]-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 110535872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).