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

C17H23N3O2 — CID 144793145

IUPACethane;methyl 1-(3-methylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxylate
SMILESCC.COC(=O)c1nn(-c2cccc(C)c2)c2c1NCCC2
InChIInChI=1S/C15H17N3O2.C2H6/c1-10-5-3-6-11(9-10)18-12-7-4-8-16-13(12)14(17-18)15(19)20-2;1-2/h3,5-6,9,16H,4,7-8H2,1-2H3;1-2H3
InChIKeyQMFHDVSXPNCARJ-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.35
Rot. Bonds2

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

ethane;methyl 1-(3-methylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxylate (PubChem CID 144793145) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is ethane;methyl 1-(3-methylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethane;methyl 1-(3-methylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxylate
PubChem CID144793145
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Nameethane;methyl 1-(3-methylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxylate
SMILESCC.COC(=O)c1nn(-c2cccc(C)c2)c2c1NCCC2
InChIInChI=1S/C15H17N3O2.C2H6/c1-10-5-3-6-11(9-10)18-12-7-4-8-16-13(12)14(17-18)15(19)20-2;1-2/h3,5-6,9,16H,4,7-8H2,1-2H3;1-2H3
InChIKeyQMFHDVSXPNCARJ-UHFFFAOYSA-N
XLogP3.35
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-(3-methylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxylate
CID 123601598
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 ethane;methyl 1-(3-methylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxylate?
The IUPAC name of ethane;methyl 1-(3-methylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxylate (CID 144793145) is ethane;methyl 1-(3-methylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxylate.
What is the SMILES notation for ethane;methyl 1-(3-methylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxylate?
The canonical SMILES for ethane;methyl 1-(3-methylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxylate is CC.COC(=O)c1nn(-c2cccc(C)c2)c2c1NCCC2.
What is the InChIKey of ethane;methyl 1-(3-methylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxylate?
The InChIKey is QMFHDVSXPNCARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2.C2H6/c1-10-5-3-6-11(9-10)18-12-7-4-8-16-13(12)14(17-18)15(19)20-2;1-2/h3,5-6,9,16H,4,7-8H2,1-2H3;1-2H3.
What are the key properties of ethane;methyl 1-(3-methylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxylate?
ethane;methyl 1-(3-methylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxylate has a molecular weight of 301.39 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl 1-(3-methylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxylate is sourced from PubChem (CID 144793145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).