4-(4-methylphenyl)-3-thiophen-2-yl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one

C16H13N3OS — CID 15990951

IUPAC4-(4-methylphenyl)-3-thiophen-2-yl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one
SMILESCc1ccc(C2NC(=O)c3n[nH]c(-c4cccs4)c32)cc1
InChIInChI=1S/C16H13N3OS/c1-9-4-6-10(7-5-9)13-12-14(11-3-2-8-21-11)18-19-15(12)16(20)17-13/h2-8,13H,1H3,(H,17,20)(H,18,19)
InChIKeyGPFFHIFAJDTIEC-UHFFFAOYSA-N
MW295.37 g/mol
LogP3.28
Rot. Bonds2

About 4-(4-methylphenyl)-3-thiophen-2-yl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one

4-(4-methylphenyl)-3-thiophen-2-yl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one (PubChem CID 15990951) has the molecular formula C16H13N3OS and a molecular weight of 295.37 g/mol. Its IUPAC name is 4-(4-methylphenyl)-3-thiophen-2-yl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one.

Molecular Properties

Compound Name4-(4-methylphenyl)-3-thiophen-2-yl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one
PubChem CID15990951
Molecular FormulaC16H13N3OS
Molecular Weight295.37 g/mol
Exact Mass295.08
IUPAC Name4-(4-methylphenyl)-3-thiophen-2-yl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one
SMILESCc1ccc(C2NC(=O)c3n[nH]c(-c4cccs4)c32)cc1
InChIInChI=1S/C16H13N3OS/c1-9-4-6-10(7-5-9)13-12-14(11-3-2-8-21-11)18-19-15(12)16(20)17-13/h2-8,13H,1H3,(H,17,20)(H,18,19)
InChIKeyGPFFHIFAJDTIEC-UHFFFAOYSA-N
XLogP3.28
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-3-thiophen-2-yl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one?
The IUPAC name of 4-(4-methylphenyl)-3-thiophen-2-yl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one (CID 15990951) is 4-(4-methylphenyl)-3-thiophen-2-yl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one.
What is the SMILES notation for 4-(4-methylphenyl)-3-thiophen-2-yl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one?
The canonical SMILES for 4-(4-methylphenyl)-3-thiophen-2-yl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one is Cc1ccc(C2NC(=O)c3n[nH]c(-c4cccs4)c32)cc1.
What is the InChIKey of 4-(4-methylphenyl)-3-thiophen-2-yl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one?
The InChIKey is GPFFHIFAJDTIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3OS/c1-9-4-6-10(7-5-9)13-12-14(11-3-2-8-21-11)18-19-15(12)16(20)17-13/h2-8,13H,1H3,(H,17,20)(H,18,19).
What are the key properties of 4-(4-methylphenyl)-3-thiophen-2-yl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one?
4-(4-methylphenyl)-3-thiophen-2-yl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one has a molecular weight of 295.37 g/mol, XLogP of 3.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-3-thiophen-2-yl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one is sourced from PubChem (CID 15990951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).