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

C18H19N5O3S — CID 26147176

IUPACethyl 1-methyl-5-(3-thiophen-3-yl-1H-pyrazole-5-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1nn(C)c2c1CN(C(=O)c1cc(-c3ccsc3)n[nH]1)CC2
InChIInChI=1S/C18H19N5O3S/c1-3-26-18(25)16-12-9-23(6-4-15(12)22(2)21-16)17(24)14-8-13(19-20-14)11-5-7-27-10-11/h5,7-8,10H,3-4,6,9H2,1-2H3,(H,19,20)
InChIKeyUAUDABZWDFUREV-UHFFFAOYSA-N
MW385.45 g/mol
LogP2.25
Rot. Bonds4

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

ethyl 1-methyl-5-(3-thiophen-3-yl-1H-pyrazole-5-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate (PubChem CID 26147176) has the molecular formula C18H19N5O3S and a molecular weight of 385.45 g/mol. Its IUPAC name is ethyl 1-methyl-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-methyl-5-(3-thiophen-3-yl-1H-pyrazole-5-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
PubChem CID26147176
Molecular FormulaC18H19N5O3S
Molecular Weight385.45 g/mol
Exact Mass385.12
IUPAC Nameethyl 1-methyl-5-(3-thiophen-3-yl-1H-pyrazole-5-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1nn(C)c2c1CN(C(=O)c1cc(-c3ccsc3)n[nH]1)CC2
InChIInChI=1S/C18H19N5O3S/c1-3-26-18(25)16-12-9-23(6-4-15(12)22(2)21-16)17(24)14-8-13(19-20-14)11-5-7-27-10-11/h5,7-8,10H,3-4,6,9H2,1-2H3,(H,19,20)
InChIKeyUAUDABZWDFUREV-UHFFFAOYSA-N
XLogP2.25
TPSA93.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-methyl-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-methyl-5-(3-thiophen-3-yl-1H-pyrazole-5-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate (CID 26147176) is ethyl 1-methyl-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-methyl-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-methyl-5-(3-thiophen-3-yl-1H-pyrazole-5-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate is CCOC(=O)c1nn(C)c2c1CN(C(=O)c1cc(-c3ccsc3)n[nH]1)CC2.
What is the InChIKey of ethyl 1-methyl-5-(3-thiophen-3-yl-1H-pyrazole-5-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?
The InChIKey is UAUDABZWDFUREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3S/c1-3-26-18(25)16-12-9-23(6-4-15(12)22(2)21-16)17(24)14-8-13(19-20-14)11-5-7-27-10-11/h5,7-8,10H,3-4,6,9H2,1-2H3,(H,19,20).
What are the key properties of ethyl 1-methyl-5-(3-thiophen-3-yl-1H-pyrazole-5-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?
ethyl 1-methyl-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 385.45 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-methyl-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 26147176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).