2-methyl-5-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione

C15H16N4O2S — CID 156610621

IUPAC2-methyl-5-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione
SMILESCN1C(=O)C2CN(Cc3cn[nH]c3-c3cccs3)CC2C1=O
InChIInChI=1S/C15H16N4O2S/c1-18-14(20)10-7-19(8-11(10)15(18)21)6-9-5-16-17-13(9)12-3-2-4-22-12/h2-5,10-11H,6-8H2,1H3,(H,16,17)
InChIKeyUNZCGUYTAWZOFD-UHFFFAOYSA-N
MW316.39 g/mol
LogP1.18
Rot. Bonds3

About 2-methyl-5-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione

2-methyl-5-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione (PubChem CID 156610621) has the molecular formula C15H16N4O2S and a molecular weight of 316.39 g/mol. Its IUPAC name is 2-methyl-5-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione.

Molecular Properties

Compound Name2-methyl-5-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione
PubChem CID156610621
Molecular FormulaC15H16N4O2S
Molecular Weight316.39 g/mol
Exact Mass316.10
IUPAC Name2-methyl-5-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione
SMILESCN1C(=O)C2CN(Cc3cn[nH]c3-c3cccs3)CC2C1=O
InChIInChI=1S/C15H16N4O2S/c1-18-14(20)10-7-19(8-11(10)15(18)21)6-9-5-16-17-13(9)12-3-2-4-22-12/h2-5,10-11H,6-8H2,1H3,(H,16,17)
InChIKeyUNZCGUYTAWZOFD-UHFFFAOYSA-N
XLogP1.18
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-methyl-5-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione 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

4-[[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]-5-thiophen-2-yl-1H-pyrazole
CID 125009893
4-methyl-2-[(2S)-4-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]morpholin-2-yl]-1H-pyrimidin-6-one
CID 137030427
5-thiophen-2-yl-4-(thiophen-2-ylmethyl)-1H-pyrazole
CID 141117900
2-propyl-6-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135944008
4-methyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]piperazin-1-amine
CID 83010094
3,5-dimethyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]cyclohexan-1-amine
CID 64733627
1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]-2,3-dihydroindole
CID 75401554
4-(2-methoxyphenyl)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]piperidin-4-ol
CID 16673543
2-phenyl-6-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135944003
3-(5-thiophen-2-yl-1H-pyrazol-4-yl)propanoic acid
CID 39096230
(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone
CID 50978348
1-piperidin-1-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propan-2-amine
CID 43791776

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione?
The IUPAC name of 2-methyl-5-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione (CID 156610621) is 2-methyl-5-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione.
What is the SMILES notation for 2-methyl-5-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione?
The canonical SMILES for 2-methyl-5-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione is CN1C(=O)C2CN(Cc3cn[nH]c3-c3cccs3)CC2C1=O.
What is the InChIKey of 2-methyl-5-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione?
The InChIKey is UNZCGUYTAWZOFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2S/c1-18-14(20)10-7-19(8-11(10)15(18)21)6-9-5-16-17-13(9)12-3-2-4-22-12/h2-5,10-11H,6-8H2,1H3,(H,16,17).
What are the key properties of 2-methyl-5-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione?
2-methyl-5-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione has a molecular weight of 316.39 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione is sourced from PubChem (CID 156610621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).