6-methyl-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid

C12H13N3O2S — CID 121435089

IUPAC6-methyl-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid
SMILESCC1Cc2[nH]nc(-c3cccs3)c2CN1C(=O)O
InChIInChI=1S/C12H13N3O2S/c1-7-5-9-8(6-15(7)12(16)17)11(14-13-9)10-3-2-4-18-10/h2-4,7H,5-6H2,1H3,(H,13,14)(H,16,17)
InChIKeyARPFPPYGIJOVMF-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.56
Rot. Bonds1

About 6-methyl-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid

6-methyl-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid (PubChem CID 121435089) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is 6-methyl-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name6-methyl-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid
PubChem CID121435089
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC Name6-methyl-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid
SMILESCC1Cc2[nH]nc(-c3cccs3)c2CN1C(=O)O
InChIInChI=1S/C12H13N3O2S/c1-7-5-9-8(6-15(7)12(16)17)11(14-13-9)10-3-2-4-18-10/h2-4,7H,5-6H2,1H3,(H,13,14)(H,16,17)
InChIKeyARPFPPYGIJOVMF-UHFFFAOYSA-N
XLogP2.56
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid?
The IUPAC name of 6-methyl-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid (CID 121435089) is 6-methyl-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid.
What is the SMILES notation for 6-methyl-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid?
The canonical SMILES for 6-methyl-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid is CC1Cc2[nH]nc(-c3cccs3)c2CN1C(=O)O.
What is the InChIKey of 6-methyl-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid?
The InChIKey is ARPFPPYGIJOVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c1-7-5-9-8(6-15(7)12(16)17)11(14-13-9)10-3-2-4-18-10/h2-4,7H,5-6H2,1H3,(H,13,14)(H,16,17).
What are the key properties of 6-methyl-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid?
6-methyl-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid has a molecular weight of 263.32 g/mol, XLogP of 2.56, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid is sourced from PubChem (CID 121435089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).