5-(2-thiophen-2-ylacetyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxylic acid

C12H11N3O3S — CID 69250579

IUPAC5-(2-thiophen-2-ylacetyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxylic acid
SMILESO=C(O)c1n[nH]c2c1CN(C(=O)Cc1cccs1)C2
InChIInChI=1S/C12H11N3O3S/c16-10(4-7-2-1-3-19-7)15-5-8-9(6-15)13-14-11(8)12(17)18/h1-3H,4-6H2,(H,13,14)(H,17,18)
InChIKeyYDGLCJGYRBXDTG-UHFFFAOYSA-N
MW277.30 g/mol
LogP1.25
Rot. Bonds3

About 5-(2-thiophen-2-ylacetyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxylic acid

5-(2-thiophen-2-ylacetyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxylic acid (PubChem CID 69250579) has the molecular formula C12H11N3O3S and a molecular weight of 277.30 g/mol. Its IUPAC name is 5-(2-thiophen-2-ylacetyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(2-thiophen-2-ylacetyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxylic acid
PubChem CID69250579
Molecular FormulaC12H11N3O3S
Molecular Weight277.30 g/mol
Exact Mass277.05
IUPAC Name5-(2-thiophen-2-ylacetyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxylic acid
SMILESO=C(O)c1n[nH]c2c1CN(C(=O)Cc1cccs1)C2
InChIInChI=1S/C12H11N3O3S/c16-10(4-7-2-1-3-19-7)15-5-8-9(6-15)13-14-11(8)12(17)18/h1-3H,4-6H2,(H,13,14)(H,17,18)
InChIKeyYDGLCJGYRBXDTG-UHFFFAOYSA-N
XLogP1.25
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(2-thiophen-2-ylacetyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxylic acid with MolForge

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Related Compounds

(3,5-dimethyl-1H-pyrazol-4-yl){[(3-methyl-2-thienyl)carbonyl]amino}acetic acid
CID 50958112
5-(5-benzoyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)thiophene-2-carboxylic acid
CID 11416495
5-(5-propanoyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)thiophene-2-carboxylic acid
CID 11437762
5-[5-(4-amino-2-phenylbutanoyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]thiophene-2-carboxylic acid
CID 11452254
5-(5-acetyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)thiophene-2-carboxylic acid
CID 11471407
4-[5-(4-amino-2-thiophen-2-ylbutanoyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]benzoic acid
CID 59136186
5-(2-thiophen-2-ylacetyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxamide
CID 69187650
ethyl 5-(2-thiophen-2-ylacetyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxylate
CID 69253669
5-(Thiophene-2-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 28269246
Methyl 6-(2-thiophen-2-ylacetyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylate
CID 84580210
Methyl 6-(thiophene-2-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylate
CID 84581251
(2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(3-methylthiophene-2-carbonyl)amino]acetic acid
CID 95204371

Frequently Asked Questions

What is the IUPAC name of 5-(2-thiophen-2-ylacetyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxylic acid?
The IUPAC name of 5-(2-thiophen-2-ylacetyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxylic acid (CID 69250579) is 5-(2-thiophen-2-ylacetyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxylic acid.
What is the SMILES notation for 5-(2-thiophen-2-ylacetyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxylic acid?
The canonical SMILES for 5-(2-thiophen-2-ylacetyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxylic acid is O=C(O)c1n[nH]c2c1CN(C(=O)Cc1cccs1)C2.
What is the InChIKey of 5-(2-thiophen-2-ylacetyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxylic acid?
The InChIKey is YDGLCJGYRBXDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3S/c16-10(4-7-2-1-3-19-7)15-5-8-9(6-15)13-14-11(8)12(17)18/h1-3H,4-6H2,(H,13,14)(H,17,18).
What are the key properties of 5-(2-thiophen-2-ylacetyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxylic acid?
5-(2-thiophen-2-ylacetyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxylic acid has a molecular weight of 277.30 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-thiophen-2-ylacetyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxylic acid is sourced from PubChem (CID 69250579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).