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

C18H17N3O2 — CID 20854727

IUPAC3-(furan-2-yl)-4-(4-propan-2-ylphenyl)-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one
SMILESCC(C)c1ccc(C2NC(=O)c3n[nH]c(-c4ccco4)c32)cc1
InChIInChI=1S/C18H17N3O2/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)
InChIKeyQJEWBSKTQKPIAF-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.63
Rot. Bonds3

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

3-(furan-2-yl)-4-(4-propan-2-ylphenyl)-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one (PubChem CID 20854727) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 3-(furan-2-yl)-4-(4-propan-2-ylphenyl)-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one.

Molecular Properties

Compound Name3-(furan-2-yl)-4-(4-propan-2-ylphenyl)-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one
PubChem CID20854727
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name3-(furan-2-yl)-4-(4-propan-2-ylphenyl)-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one
SMILESCC(C)c1ccc(C2NC(=O)c3n[nH]c(-c4ccco4)c32)cc1
InChIInChI=1S/C18H17N3O2/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)
InChIKeyQJEWBSKTQKPIAF-UHFFFAOYSA-N
XLogP3.63
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-4-(4-propan-2-ylphenyl)-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one?
The IUPAC name of 3-(furan-2-yl)-4-(4-propan-2-ylphenyl)-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one (CID 20854727) is 3-(furan-2-yl)-4-(4-propan-2-ylphenyl)-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one.
What is the SMILES notation for 3-(furan-2-yl)-4-(4-propan-2-ylphenyl)-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one?
The canonical SMILES for 3-(furan-2-yl)-4-(4-propan-2-ylphenyl)-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one is CC(C)c1ccc(C2NC(=O)c3n[nH]c(-c4ccco4)c32)cc1.
What is the InChIKey of 3-(furan-2-yl)-4-(4-propan-2-ylphenyl)-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one?
The InChIKey is QJEWBSKTQKPIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/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 3-(furan-2-yl)-4-(4-propan-2-ylphenyl)-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one?
3-(furan-2-yl)-4-(4-propan-2-ylphenyl)-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one has a molecular weight of 307.35 g/mol, XLogP of 3.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-4-(4-propan-2-ylphenyl)-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one is sourced from PubChem (CID 20854727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).