methyl 1-(3-methylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxylate

C15H17N3O2 — CID 123601598

IUPACmethyl 1-(3-methylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxylate
SMILESCOC(=O)c1nn(-c2cccc(C)c2)c2c1NCCC2
InChIInChI=1S/C15H17N3O2/c1-10-5-3-6-11(9-10)18-12-7-4-8-16-13(12)14(17-18)15(19)20-2/h3,5-6,9,16H,4,7-8H2,1-2H3
InChIKeyWPNIIASLXOYKAE-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.33
Rot. Bonds2

About methyl 1-(3-methylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxylate

methyl 1-(3-methylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxylate (PubChem CID 123601598) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is methyl 1-(3-methylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(3-methylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxylate
PubChem CID123601598
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Namemethyl 1-(3-methylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxylate
SMILESCOC(=O)c1nn(-c2cccc(C)c2)c2c1NCCC2
InChIInChI=1S/C15H17N3O2/c1-10-5-3-6-11(9-10)18-12-7-4-8-16-13(12)14(17-18)15(19)20-2/h3,5-6,9,16H,4,7-8H2,1-2H3
InChIKeyWPNIIASLXOYKAE-UHFFFAOYSA-N
XLogP2.33
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;methyl 1-(3-methylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxylate
CID 144793145
methyl 1-[3-[2-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxylate
CID 123533405
1-(3-fluorophenyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine
CID 84647310
methyl 5-amino-1-(3-methylphenyl)triazole-4-carboxylate
CID 4912897
[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 16599689
methyl 4-oxo-1-phenyl-5,6,7,8-tetrahydrocyclohepta[c]pyrazole-3-carboxylate
CID 56589821
methyl 1-(3-methylphenyl)-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine-3-carboxylate
CID 123462084
methyl 3-(3-cyclohexyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)benzoate
CID 110459041
methyl 3-(3-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)benzoate
CID 82586815
methyl 2-amino-4-[4-(3-methylphenyl)piperazin-1-yl]-1,3-thiazole-5-carboxylate
CID 28815570
methyl 3-(3,5-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl)benzoate
CID 82585693
methyl 5-methyl-1-(3-methylphenyl)-2-piperidin-1-ylpyrrole-3-carboxylate
CID 155681256

Frequently Asked Questions

What is the IUPAC name of methyl 1-(3-methylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxylate?
The IUPAC name of methyl 1-(3-methylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxylate (CID 123601598) is methyl 1-(3-methylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxylate.
What is the SMILES notation for methyl 1-(3-methylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxylate?
The canonical SMILES for methyl 1-(3-methylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxylate is COC(=O)c1nn(-c2cccc(C)c2)c2c1NCCC2.
What is the InChIKey of methyl 1-(3-methylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxylate?
The InChIKey is WPNIIASLXOYKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-10-5-3-6-11(9-10)18-12-7-4-8-16-13(12)14(17-18)15(19)20-2/h3,5-6,9,16H,4,7-8H2,1-2H3.
What are the key properties of methyl 1-(3-methylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxylate?
methyl 1-(3-methylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxylate has a molecular weight of 271.32 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(3-methylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxylate is sourced from PubChem (CID 123601598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).