methyl 6-(thiophene-2-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylate

C13H13N3O3S — CID 84581251

IUPACmethyl 6-(thiophene-2-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylate
SMILESCOC(=O)c1n[nH]c2c1CCN(C(=O)c1cccs1)C2
InChIInChI=1S/C13H13N3O3S/c1-19-13(18)11-8-4-5-16(7-9(8)14-15-11)12(17)10-3-2-6-20-10/h2-3,6H,4-5,7H2,1H3,(H,14,15)
InChIKeyPUYBXEMPMLNLKU-UHFFFAOYSA-N
MW291.33 g/mol
LogP1.46
Rot. Bonds2

About methyl 6-(thiophene-2-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylate

methyl 6-(thiophene-2-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylate (PubChem CID 84581251) has the molecular formula C13H13N3O3S and a molecular weight of 291.33 g/mol. Its IUPAC name is methyl 6-(thiophene-2-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(thiophene-2-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylate
PubChem CID84581251
Molecular FormulaC13H13N3O3S
Molecular Weight291.33 g/mol
Exact Mass291.07
IUPAC Namemethyl 6-(thiophene-2-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylate
SMILESCOC(=O)c1n[nH]c2c1CCN(C(=O)c1cccs1)C2
InChIInChI=1S/C13H13N3O3S/c1-19-13(18)11-8-4-5-16(7-9(8)14-15-11)12(17)10-3-2-6-20-10/h2-3,6H,4-5,7H2,1H3,(H,14,15)
InChIKeyPUYBXEMPMLNLKU-UHFFFAOYSA-N
XLogP1.46
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 6-(thiophene-2-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylate?
The IUPAC name of methyl 6-(thiophene-2-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylate (CID 84581251) is methyl 6-(thiophene-2-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-(thiophene-2-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-(thiophene-2-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylate is COC(=O)c1n[nH]c2c1CCN(C(=O)c1cccs1)C2.
What is the InChIKey of methyl 6-(thiophene-2-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylate?
The InChIKey is PUYBXEMPMLNLKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3S/c1-19-13(18)11-8-4-5-16(7-9(8)14-15-11)12(17)10-3-2-6-20-10/h2-3,6H,4-5,7H2,1H3,(H,14,15).
What are the key properties of methyl 6-(thiophene-2-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylate?
methyl 6-(thiophene-2-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylate has a molecular weight of 291.33 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(thiophene-2-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylate is sourced from PubChem (CID 84581251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).