ethyl 4-(hydroxymethyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylate

C17H17N3O3 — CID 126743036

IUPACethyl 4-(hydroxymethyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylate
SMILESCCOC(=O)c1cc(CO)c2c(C)nn(-c3ccccc3)c2n1
InChIInChI=1S/C17H17N3O3/c1-3-23-17(22)14-9-12(10-21)15-11(2)19-20(16(15)18-14)13-7-5-4-6-8-13/h4-9,21H,3,10H2,1-2H3
InChIKeyXSQAWUAZHYCFPB-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.40
Rot. Bonds4

About ethyl 4-(hydroxymethyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylate

ethyl 4-(hydroxymethyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylate (PubChem CID 126743036) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is ethyl 4-(hydroxymethyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylate.

Molecular Properties

Compound Nameethyl 4-(hydroxymethyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylate
PubChem CID126743036
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Nameethyl 4-(hydroxymethyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylate
SMILESCCOC(=O)c1cc(CO)c2c(C)nn(-c3ccccc3)c2n1
InChIInChI=1S/C17H17N3O3/c1-3-23-17(22)14-9-12(10-21)15-11(2)19-20(16(15)18-14)13-7-5-4-6-8-13/h4-9,21H,3,10H2,1-2H3
InChIKeyXSQAWUAZHYCFPB-UHFFFAOYSA-N
XLogP2.40
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-(4-hydroxypiperidin-1-yl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylate
CID 126743223
ethyl 4-[4-(cyanomethyl)piperazin-1-yl]-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylate
CID 126743666
ethyl 3-methyl-4-[4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylate
CID 126742942
methyl 4-chloro-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylate
CID 126743206
ethyl 3-methyl-4-[4-(2-oxa-7-azaspiro[3.5]nonan-7-yl)phenyl]-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylate
CID 126742813
ethyl 5-amino-1-phenylpyrazole-3-carboxylate
CID 23630921
ethyl 5-methyl-1-phenylpyrazole-3-carboxylate
CID 10900438
2-bromoacetonitrile;ethyl 4-[4-[4-(cyanomethyl)piperazin-1-yl]phenyl]-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylate;ethyl 3-methyl-1-phenyl-4-(4-piperidin-1-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxylate
CID 158640850
ethyl 3-methyl-4-oxo-1-phenylpyrano[3,2-d]pyrazole-6-carboxylate
CID 10851602
ethyl 5-(acetyloxymethyl)-1-phenylpyrazole-3-carboxylate
CID 170872121
ethyl 2-[6-(ethoxymethyl)-3-methyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl]acetate
CID 127043620
ethyl 4-hydroxy-6-oxo-1-phenylpyridazine-3-carboxylate
CID 54708408

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(hydroxymethyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylate?
The IUPAC name of ethyl 4-(hydroxymethyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylate (CID 126743036) is ethyl 4-(hydroxymethyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylate.
What is the SMILES notation for ethyl 4-(hydroxymethyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylate?
The canonical SMILES for ethyl 4-(hydroxymethyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylate is CCOC(=O)c1cc(CO)c2c(C)nn(-c3ccccc3)c2n1.
What is the InChIKey of ethyl 4-(hydroxymethyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylate?
The InChIKey is XSQAWUAZHYCFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-3-23-17(22)14-9-12(10-21)15-11(2)19-20(16(15)18-14)13-7-5-4-6-8-13/h4-9,21H,3,10H2,1-2H3.
What are the key properties of ethyl 4-(hydroxymethyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylate?
ethyl 4-(hydroxymethyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylate has a molecular weight of 311.34 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(hydroxymethyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylate is sourced from PubChem (CID 126743036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).