3-[2-[(4-methylphenyl)methoxy]phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine

C20H21N3O — CID 110537634

IUPAC3-[2-[(4-methylphenyl)methoxy]phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
SMILESCc1ccc(COc2ccccc2-c2n[nH]c3c2CNCC3)cc1
InChIInChI=1S/C20H21N3O/c1-14-6-8-15(9-7-14)13-24-19-5-3-2-4-16(19)20-17-12-21-11-10-18(17)22-23-20/h2-9,21H,10-13H2,1H3,(H,22,23)
InChIKeyOMJZLXHKATVKQX-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.61
Rot. Bonds4

About 3-[2-[(4-methylphenyl)methoxy]phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine

3-[2-[(4-methylphenyl)methoxy]phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine (PubChem CID 110537634) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 3-[2-[(4-methylphenyl)methoxy]phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-[2-[(4-methylphenyl)methoxy]phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
PubChem CID110537634
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name3-[2-[(4-methylphenyl)methoxy]phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
SMILESCc1ccc(COc2ccccc2-c2n[nH]c3c2CNCC3)cc1
InChIInChI=1S/C20H21N3O/c1-14-6-8-15(9-7-14)13-24-19-5-3-2-4-16(19)20-17-12-21-11-10-18(17)22-23-20/h2-9,21H,10-13H2,1H3,(H,22,23)
InChIKeyOMJZLXHKATVKQX-UHFFFAOYSA-N
XLogP3.61
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[2-[(4-methylphenyl)methoxy]phenyl]-1H-1,2,4-triazole
CID 75388829
1-fluoro-4-[2-[(4-methylphenyl)methoxy]phenyl]benzene
CID 123297454
3-(2-chloro-3,4-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 110538918
3-(3-methoxy-2-phenylmethoxyphenyl)-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110535893
5-methyl-3-(2-propoxyphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110539764
3-(2-methoxy-5-methylphenyl)-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole
CID 83850261
3-(3-bromo-4-methoxyphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 110538216
1-iodo-2-[(4-methylphenyl)methoxy]benzene
CID 63530114
benzyl 2-methyl-2-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)propanoate
CID 129096109
1-(benzenesulfonyl)-2-[2-[(4-methylphenyl)methoxy]phenyl]imidazole
CID 110532187
5-[(4-fluorophenyl)methoxy]-2-[(4-methylphenyl)methyl]-3,4-dihydroisoquinolin-1-one
CID 2152064
2-[(4-fluorophenyl)methyl]-5-[(4-methylphenyl)methoxy]-3,4-dihydroisoquinolin-1-one
CID 2152027

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(4-methylphenyl)methoxy]phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine?
The IUPAC name of 3-[2-[(4-methylphenyl)methoxy]phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine (CID 110537634) is 3-[2-[(4-methylphenyl)methoxy]phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-[2-[(4-methylphenyl)methoxy]phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-[2-[(4-methylphenyl)methoxy]phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine is Cc1ccc(COc2ccccc2-c2n[nH]c3c2CNCC3)cc1.
What is the InChIKey of 3-[2-[(4-methylphenyl)methoxy]phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine?
The InChIKey is OMJZLXHKATVKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-14-6-8-15(9-7-14)13-24-19-5-3-2-4-16(19)20-17-12-21-11-10-18(17)22-23-20/h2-9,21H,10-13H2,1H3,(H,22,23).
What are the key properties of 3-[2-[(4-methylphenyl)methoxy]phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine?
3-[2-[(4-methylphenyl)methoxy]phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine has a molecular weight of 319.41 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(4-methylphenyl)methoxy]phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 110537634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).