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

C12H12N4O2S — CID 69187650

IUPAC5-(2-thiophen-2-ylacetyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxamide
SMILESNC(=O)c1n[nH]c2c1CN(C(=O)Cc1cccs1)C2
InChIInChI=1S/C12H12N4O2S/c13-12(18)11-8-5-16(6-9(8)14-15-11)10(17)4-7-2-1-3-19-7/h1-3H,4-6H2,(H2,13,18)(H,14,15)
InChIKeyILMGFGJUPOIRTJ-UHFFFAOYSA-N
MW276.32 g/mol
LogP0.65
Rot. Bonds3

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

5-(2-thiophen-2-ylacetyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxamide (PubChem CID 69187650) has the molecular formula C12H12N4O2S and a molecular weight of 276.32 g/mol. Its IUPAC name is 5-(2-thiophen-2-ylacetyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(2-thiophen-2-ylacetyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxamide
PubChem CID69187650
Molecular FormulaC12H12N4O2S
Molecular Weight276.32 g/mol
Exact Mass276.07
IUPAC Name5-(2-thiophen-2-ylacetyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxamide
SMILESNC(=O)c1n[nH]c2c1CN(C(=O)Cc1cccs1)C2
InChIInChI=1S/C12H12N4O2S/c13-12(18)11-8-5-16(6-9(8)14-15-11)10(17)4-7-2-1-3-19-7/h1-3H,4-6H2,(H2,13,18)(H,14,15)
InChIKeyILMGFGJUPOIRTJ-UHFFFAOYSA-N
XLogP0.65
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-(2-thienylmethylene)-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carbohydrazide
CID 5720643
N-[(E)-1-thiophen-2-ylethylideneamino]-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide
CID 5392060
N'-[(3-methyl-2-thienyl)methylene]-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carbohydrazide
CID 5400057
4-(4-isopropylphenyl)-3-thien-2-yl-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one
CID 15990955
N-[(3R)-1-(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide
CID 168294671
4-(4-methylphenyl)-3-thien-2-yl-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one
CID 15990951
4-(3-fluorophenyl)-3-thiophen-2-yl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one
CID 20854737
N-butyl-N,3-dimethyl-1H-thieno[2,3-c]pyrazole-5-carboxamide
CID 44405939
5,5-dioxo-N-(thiophen-2-ylmethyl)-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole-3-carboxamide
CID 52103959
(5-propan-2-yl-1H-pyrazol-3-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
CID 56814125
5-[1-(3-thiophen-2-ylpropanoyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 71927144
(4S)-N-ethyl-4-{[(3-ethyl-1H-pyrazol-5-yl)carbonyl]amino}-1-(3-thienylmethyl)-L-prolinamide
CID 72882666

Frequently Asked Questions

What is the IUPAC name of 5-(2-thiophen-2-ylacetyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxamide?
The IUPAC name of 5-(2-thiophen-2-ylacetyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxamide (CID 69187650) is 5-(2-thiophen-2-ylacetyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxamide.
What is the SMILES notation for 5-(2-thiophen-2-ylacetyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxamide?
The canonical SMILES for 5-(2-thiophen-2-ylacetyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxamide is NC(=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-carboxamide?
The InChIKey is ILMGFGJUPOIRTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2S/c13-12(18)11-8-5-16(6-9(8)14-15-11)10(17)4-7-2-1-3-19-7/h1-3H,4-6H2,(H2,13,18)(H,14,15).
What are the key properties of 5-(2-thiophen-2-ylacetyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxamide?
5-(2-thiophen-2-ylacetyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxamide has a molecular weight of 276.32 g/mol, XLogP of 0.65, 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-carboxamide is sourced from PubChem (CID 69187650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).