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

C18H17N3OS — CID 15990955

IUPAC4-(4-propan-2-ylphenyl)-3-thiophen-2-yl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one
SMILESCC(C)c1ccc(C2NC(=O)c3n[nH]c(-c4cccs4)c32)cc1
InChIInChI=1S/C18H17N3OS/c1-10(2)11-5-7-12(8-6-11)15-14-16(13-4-3-9-23-13)20-21-17(14)18(22)19-15/h3-10,15H,1-2H3,(H,19,22)(H,20,21)
InChIKeyZIXNZCXDLVFSOB-UHFFFAOYSA-N
MW323.42 g/mol
LogP4.09
Rot. Bonds3

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

4-(4-propan-2-ylphenyl)-3-thiophen-2-yl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one (PubChem CID 15990955) has the molecular formula C18H17N3OS and a molecular weight of 323.42 g/mol. Its IUPAC name is 4-(4-propan-2-ylphenyl)-3-thiophen-2-yl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one.

Molecular Properties

Compound Name4-(4-propan-2-ylphenyl)-3-thiophen-2-yl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one
PubChem CID15990955
Molecular FormulaC18H17N3OS
Molecular Weight323.42 g/mol
Exact Mass323.11
IUPAC Name4-(4-propan-2-ylphenyl)-3-thiophen-2-yl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one
SMILESCC(C)c1ccc(C2NC(=O)c3n[nH]c(-c4cccs4)c32)cc1
InChIInChI=1S/C18H17N3OS/c1-10(2)11-5-7-12(8-6-11)15-14-16(13-4-3-9-23-13)20-21-17(14)18(22)19-15/h3-10,15H,1-2H3,(H,19,22)(H,20,21)
InChIKeyZIXNZCXDLVFSOB-UHFFFAOYSA-N
XLogP4.09
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-propan-2-ylphenyl)-3-thiophen-2-yl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one?
The IUPAC name of 4-(4-propan-2-ylphenyl)-3-thiophen-2-yl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one (CID 15990955) is 4-(4-propan-2-ylphenyl)-3-thiophen-2-yl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one.
What is the SMILES notation for 4-(4-propan-2-ylphenyl)-3-thiophen-2-yl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one?
The canonical SMILES for 4-(4-propan-2-ylphenyl)-3-thiophen-2-yl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one is CC(C)c1ccc(C2NC(=O)c3n[nH]c(-c4cccs4)c32)cc1.
What is the InChIKey of 4-(4-propan-2-ylphenyl)-3-thiophen-2-yl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one?
The InChIKey is ZIXNZCXDLVFSOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3OS/c1-10(2)11-5-7-12(8-6-11)15-14-16(13-4-3-9-23-13)20-21-17(14)18(22)19-15/h3-10,15H,1-2H3,(H,19,22)(H,20,21).
What are the key properties of 4-(4-propan-2-ylphenyl)-3-thiophen-2-yl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one?
4-(4-propan-2-ylphenyl)-3-thiophen-2-yl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one has a molecular weight of 323.42 g/mol, XLogP of 4.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propan-2-ylphenyl)-3-thiophen-2-yl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one is sourced from PubChem (CID 15990955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).