ethyl 1-methyl-5-(3-thiophen-2-ylpropanoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate

C17H21N3O3S — CID 26143384

IUPACethyl 1-methyl-5-(3-thiophen-2-ylpropanoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1nn(C)c2c1CN(C(=O)CCc1cccs1)CC2
InChIInChI=1S/C17H21N3O3S/c1-3-23-17(22)16-13-11-20(9-8-14(13)19(2)18-16)15(21)7-6-12-5-4-10-24-12/h4-5,10H,3,6-9,11H2,1-2H3
InChIKeyJPSFHVRHPPQLDD-UHFFFAOYSA-N
MW347.44 g/mol
LogP2.18
Rot. Bonds5

About ethyl 1-methyl-5-(3-thiophen-2-ylpropanoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate

ethyl 1-methyl-5-(3-thiophen-2-ylpropanoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate (PubChem CID 26143384) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is ethyl 1-methyl-5-(3-thiophen-2-ylpropanoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-methyl-5-(3-thiophen-2-ylpropanoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
PubChem CID26143384
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Nameethyl 1-methyl-5-(3-thiophen-2-ylpropanoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1nn(C)c2c1CN(C(=O)CCc1cccs1)CC2
InChIInChI=1S/C17H21N3O3S/c1-3-23-17(22)16-13-11-20(9-8-14(13)19(2)18-16)15(21)7-6-12-5-4-10-24-12/h4-5,10H,3,6-9,11H2,1-2H3
InChIKeyJPSFHVRHPPQLDD-UHFFFAOYSA-N
XLogP2.18
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-methyl-5-(3-thiophen-2-ylpropanoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?
The IUPAC name of ethyl 1-methyl-5-(3-thiophen-2-ylpropanoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate (CID 26143384) is ethyl 1-methyl-5-(3-thiophen-2-ylpropanoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 1-methyl-5-(3-thiophen-2-ylpropanoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?
The canonical SMILES for ethyl 1-methyl-5-(3-thiophen-2-ylpropanoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate is CCOC(=O)c1nn(C)c2c1CN(C(=O)CCc1cccs1)CC2.
What is the InChIKey of ethyl 1-methyl-5-(3-thiophen-2-ylpropanoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?
The InChIKey is JPSFHVRHPPQLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-3-23-17(22)16-13-11-20(9-8-14(13)19(2)18-16)15(21)7-6-12-5-4-10-24-12/h4-5,10H,3,6-9,11H2,1-2H3.
What are the key properties of ethyl 1-methyl-5-(3-thiophen-2-ylpropanoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?
ethyl 1-methyl-5-(3-thiophen-2-ylpropanoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate has a molecular weight of 347.44 g/mol, XLogP of 2.18, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-methyl-5-(3-thiophen-2-ylpropanoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate is sourced from PubChem (CID 26143384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).