ethyl 1-(3-methylbenzoyl)pyrazolo[4,3-c]pyridine-3-carboxylate

C17H15N3O3 — CID 162660835

IUPACethyl 1-(3-methylbenzoyl)pyrazolo[4,3-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1nn(C(=O)c2cccc(C)c2)c2ccncc12
InChIInChI=1S/C17H15N3O3/c1-3-23-17(22)15-13-10-18-8-7-14(13)20(19-15)16(21)12-6-4-5-11(2)9-12/h4-10H,3H2,1-2H3
InChIKeyPVFLLTPFFHYNDT-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.60
Rot. Bonds3

About ethyl 1-(3-methylbenzoyl)pyrazolo[4,3-c]pyridine-3-carboxylate

ethyl 1-(3-methylbenzoyl)pyrazolo[4,3-c]pyridine-3-carboxylate (PubChem CID 162660835) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is ethyl 1-(3-methylbenzoyl)pyrazolo[4,3-c]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3-methylbenzoyl)pyrazolo[4,3-c]pyridine-3-carboxylate
PubChem CID162660835
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC Nameethyl 1-(3-methylbenzoyl)pyrazolo[4,3-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1nn(C(=O)c2cccc(C)c2)c2ccncc12
InChIInChI=1S/C17H15N3O3/c1-3-23-17(22)15-13-10-18-8-7-14(13)20(19-15)16(21)12-6-4-5-11(2)9-12/h4-10H,3H2,1-2H3
InChIKeyPVFLLTPFFHYNDT-UHFFFAOYSA-N
XLogP2.60
TPSA74.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl pyrazolo(1,5-a)pyridine-3-carboxylate
CID 2795464
Ethyl 1-(2-methylphenyl)-3-pyridin-3-ylpyrazole-5-carboxylate
CID 2405912
ethyl 5-{1-methyl-3-[(pyridin-4-ylmethyl)carbamoyl]-1H-pyrazol-5-yl}-1H-indole-2-carboxylate
CID 45377564
6-[(6-Methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
CID 60151153
6-[[2-Phenyl-6-(propen-2-yl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid
CID 86704838
Dimethyl pyrazolo(1,5-a)pyridine-2,3-dicarboxylate
CID 2794621
Ethyl 1-benzoylindazole-3-carboxylate
CID 12689316
Ethyl 3-[(pyrazolo[1,5-a]pyridin-2-ylcarbonyl)amino]benzoate
CID 16024845
Ethyl 4-[1-(pyridin-2-ylmethyl)indazol-3-yl]benzoate
CID 44451921
Methyl 1-benzoylindazole-3-carboxylate
CID 53357861
Methyl 1-(3-methylbenzoyl)indazole-3-carboxylate
CID 53357862
Propan-2-yl 1-benzoylindazole-3-carboxylate
CID 53357863

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3-methylbenzoyl)pyrazolo[4,3-c]pyridine-3-carboxylate?
The IUPAC name of ethyl 1-(3-methylbenzoyl)pyrazolo[4,3-c]pyridine-3-carboxylate (CID 162660835) is ethyl 1-(3-methylbenzoyl)pyrazolo[4,3-c]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 1-(3-methylbenzoyl)pyrazolo[4,3-c]pyridine-3-carboxylate?
The canonical SMILES for ethyl 1-(3-methylbenzoyl)pyrazolo[4,3-c]pyridine-3-carboxylate is CCOC(=O)c1nn(C(=O)c2cccc(C)c2)c2ccncc12.
What is the InChIKey of ethyl 1-(3-methylbenzoyl)pyrazolo[4,3-c]pyridine-3-carboxylate?
The InChIKey is PVFLLTPFFHYNDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-3-23-17(22)15-13-10-18-8-7-14(13)20(19-15)16(21)12-6-4-5-11(2)9-12/h4-10H,3H2,1-2H3.
What are the key properties of ethyl 1-(3-methylbenzoyl)pyrazolo[4,3-c]pyridine-3-carboxylate?
ethyl 1-(3-methylbenzoyl)pyrazolo[4,3-c]pyridine-3-carboxylate has a molecular weight of 309.33 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(3-methylbenzoyl)pyrazolo[4,3-c]pyridine-3-carboxylate is sourced from PubChem (CID 162660835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).