3-(3-methoxyphenyl)-2,7-dimethyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine

C15H19N3O — CID 146456991

IUPAC3-(3-methoxyphenyl)-2,7-dimethyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine
SMILESCOc1cccc(-c2c3c(nn2C)C(C)NCC3)c1
InChIInChI=1S/C15H19N3O/c1-10-14-13(7-8-16-10)15(18(2)17-14)11-5-4-6-12(9-11)19-3/h4-6,9-10,16H,7-8H2,1-3H3
InChIKeyULHQBZUZJVVDJS-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.30
Rot. Bonds2

About 3-(3-methoxyphenyl)-2,7-dimethyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine

3-(3-methoxyphenyl)-2,7-dimethyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine (PubChem CID 146456991) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-2,7-dimethyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-2,7-dimethyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine
PubChem CID146456991
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name3-(3-methoxyphenyl)-2,7-dimethyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine
SMILESCOc1cccc(-c2c3c(nn2C)C(C)NCC3)c1
InChIInChI=1S/C15H19N3O/c1-10-14-13(7-8-16-10)15(18(2)17-14)11-5-4-6-12(9-11)19-3/h4-6,9-10,16H,7-8H2,1-3H3
InChIKeyULHQBZUZJVVDJS-UHFFFAOYSA-N
XLogP2.30
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,7-dimethyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine
CID 166760072
3-(3-methoxyphenyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridine
CID 84647307
5-(3-methoxyphenyl)-1,3-dimethylpyrazole
CID 57246578
3-cyclobutyl-4-(3-methoxyphenyl)-1-methylpyrazol-5-amine
CID 61263855
[5-(3-methoxyphenyl)-1-methyltriazol-4-yl]methanamine
CID 82207885
3-(chloromethyl)-5-(3-methoxyphenyl)-1-methylpyrazole
CID 82129617
[5-(3-methoxyphenyl)-1-methylpyrazol-3-yl]methanethiol
CID 82159157
5-(3-methoxyphenyl)-1-methylpyrazol-4-ol
CID 105456123
(1R,8S)-5-(3,5-dimethoxyphenyl)-4-methyl-3,4,12-triazatricyclo[6.3.1.02,6]dodeca-2,5-diene
CID 146480472
2,3,5,6-tetrakis(3-methoxyphenyl)pyrazine
CID 132941107
4-bromo-1-cyclopentyl-3,5-bis(3-methoxyphenyl)pyrazole
CID 19587192
4-(3-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 5244130

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-2,7-dimethyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine?
The IUPAC name of 3-(3-methoxyphenyl)-2,7-dimethyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine (CID 146456991) is 3-(3-methoxyphenyl)-2,7-dimethyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine.
What is the SMILES notation for 3-(3-methoxyphenyl)-2,7-dimethyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine?
The canonical SMILES for 3-(3-methoxyphenyl)-2,7-dimethyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine is COc1cccc(-c2c3c(nn2C)C(C)NCC3)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-2,7-dimethyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine?
The InChIKey is ULHQBZUZJVVDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-10-14-13(7-8-16-10)15(18(2)17-14)11-5-4-6-12(9-11)19-3/h4-6,9-10,16H,7-8H2,1-3H3.
What are the key properties of 3-(3-methoxyphenyl)-2,7-dimethyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine?
3-(3-methoxyphenyl)-2,7-dimethyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine has a molecular weight of 257.34 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-2,7-dimethyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine is sourced from PubChem (CID 146456991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).