5-(2,5-dimethylpyrazole-3-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid

C14H15N3O3S — CID 66127754

IUPAC5-(2,5-dimethylpyrazole-3-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
SMILESCc1cc(C(=O)N2CCc3sccc3C2C(=O)O)n(C)n1
InChIInChI=1S/C14H15N3O3S/c1-8-7-10(16(2)15-8)13(18)17-5-3-11-9(4-6-21-11)12(17)14(19)20/h4,6-7,12H,3,5H2,1-2H3,(H,19,20)
InChIKeyJHTZRTLOGLINPP-UHFFFAOYSA-N
MW305.36 g/mol
LogP1.61
Rot. Bonds2

About 5-(2,5-dimethylpyrazole-3-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid

5-(2,5-dimethylpyrazole-3-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid (PubChem CID 66127754) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is 5-(2,5-dimethylpyrazole-3-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-(2,5-dimethylpyrazole-3-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
PubChem CID66127754
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name5-(2,5-dimethylpyrazole-3-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
SMILESCc1cc(C(=O)N2CCc3sccc3C2C(=O)O)n(C)n1
InChIInChI=1S/C14H15N3O3S/c1-8-7-10(16(2)15-8)13(18)17-5-3-11-9(4-6-21-11)12(17)14(19)20/h4,6-7,12H,3,5H2,1-2H3,(H,19,20)
InChIKeyJHTZRTLOGLINPP-UHFFFAOYSA-N
XLogP1.61
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethylpyrazole-3-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid?
The IUPAC name of 5-(2,5-dimethylpyrazole-3-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid (CID 66127754) is 5-(2,5-dimethylpyrazole-3-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid.
What is the SMILES notation for 5-(2,5-dimethylpyrazole-3-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid?
The canonical SMILES for 5-(2,5-dimethylpyrazole-3-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid is Cc1cc(C(=O)N2CCc3sccc3C2C(=O)O)n(C)n1.
What is the InChIKey of 5-(2,5-dimethylpyrazole-3-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid?
The InChIKey is JHTZRTLOGLINPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-8-7-10(16(2)15-8)13(18)17-5-3-11-9(4-6-21-11)12(17)14(19)20/h4,6-7,12H,3,5H2,1-2H3,(H,19,20).
What are the key properties of 5-(2,5-dimethylpyrazole-3-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid?
5-(2,5-dimethylpyrazole-3-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid has a molecular weight of 305.36 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethylpyrazole-3-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid is sourced from PubChem (CID 66127754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).