ethyl 1-ethyl-5-(3-thiophen-3-yl-1H-pyrazole-5-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate

C19H21N5O3S — CID 26139411

IUPACethyl 1-ethyl-5-(3-thiophen-3-yl-1H-pyrazole-5-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1nn(CC)c2c1CN(C(=O)c1cc(-c3ccsc3)n[nH]1)CC2
InChIInChI=1S/C19H21N5O3S/c1-3-24-16-5-7-23(10-13(16)17(22-24)19(26)27-4-2)18(25)15-9-14(20-21-15)12-6-8-28-11-12/h6,8-9,11H,3-5,7,10H2,1-2H3,(H,20,21)
InChIKeyVWZIQWSPGVDTNC-UHFFFAOYSA-N
MW399.48 g/mol
LogP2.73
Rot. Bonds5

About ethyl 1-ethyl-5-(3-thiophen-3-yl-1H-pyrazole-5-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate

ethyl 1-ethyl-5-(3-thiophen-3-yl-1H-pyrazole-5-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate (PubChem CID 26139411) has the molecular formula C19H21N5O3S and a molecular weight of 399.48 g/mol. Its IUPAC name is ethyl 1-ethyl-5-(3-thiophen-3-yl-1H-pyrazole-5-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-ethyl-5-(3-thiophen-3-yl-1H-pyrazole-5-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
PubChem CID26139411
Molecular FormulaC19H21N5O3S
Molecular Weight399.48 g/mol
Exact Mass399.14
IUPAC Nameethyl 1-ethyl-5-(3-thiophen-3-yl-1H-pyrazole-5-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1nn(CC)c2c1CN(C(=O)c1cc(-c3ccsc3)n[nH]1)CC2
InChIInChI=1S/C19H21N5O3S/c1-3-24-16-5-7-23(10-13(16)17(22-24)19(26)27-4-2)18(25)15-9-14(20-21-15)12-6-8-28-11-12/h6,8-9,11H,3-5,7,10H2,1-2H3,(H,20,21)
InChIKeyVWZIQWSPGVDTNC-UHFFFAOYSA-N
XLogP2.73
TPSA93.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.48
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 1-ethyl-5-(3-thiophen-3-yl-1H-pyrazole-5-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 1-ethyl-5-(3-thiophen-3-yl-1H-pyrazole-5-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?
The IUPAC name of ethyl 1-ethyl-5-(3-thiophen-3-yl-1H-pyrazole-5-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate (CID 26139411) is ethyl 1-ethyl-5-(3-thiophen-3-yl-1H-pyrazole-5-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 1-ethyl-5-(3-thiophen-3-yl-1H-pyrazole-5-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?
The canonical SMILES for ethyl 1-ethyl-5-(3-thiophen-3-yl-1H-pyrazole-5-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate is CCOC(=O)c1nn(CC)c2c1CN(C(=O)c1cc(-c3ccsc3)n[nH]1)CC2.
What is the InChIKey of ethyl 1-ethyl-5-(3-thiophen-3-yl-1H-pyrazole-5-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?
The InChIKey is VWZIQWSPGVDTNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3S/c1-3-24-16-5-7-23(10-13(16)17(22-24)19(26)27-4-2)18(25)15-9-14(20-21-15)12-6-8-28-11-12/h6,8-9,11H,3-5,7,10H2,1-2H3,(H,20,21).
What are the key properties of ethyl 1-ethyl-5-(3-thiophen-3-yl-1H-pyrazole-5-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?
ethyl 1-ethyl-5-(3-thiophen-3-yl-1H-pyrazole-5-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate has a molecular weight of 399.48 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-ethyl-5-(3-thiophen-3-yl-1H-pyrazole-5-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate is sourced from PubChem (CID 26139411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).