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

C15H9Cl2N3O2 — CID 20854729

IUPAC4-(2,4-dichlorophenyl)-3-(furan-2-yl)-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one
SMILESO=C1NC(c2ccc(Cl)cc2Cl)c2c1n[nH]c2-c1ccco1
InChIInChI=1S/C15H9Cl2N3O2/c16-7-3-4-8(9(17)6-7)12-11-13(10-2-1-5-22-10)19-20-14(11)15(21)18-12/h1-6,12H,(H,18,21)(H,19,20)
InChIKeyHEEAULGOJVGACF-UHFFFAOYSA-N
MW334.16 g/mol
LogP3.81
Rot. Bonds2

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

4-(2,4-dichlorophenyl)-3-(furan-2-yl)-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one (PubChem CID 20854729) has the molecular formula C15H9Cl2N3O2 and a molecular weight of 334.16 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)-3-(furan-2-yl)-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one.

Molecular Properties

Compound Name4-(2,4-dichlorophenyl)-3-(furan-2-yl)-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one
PubChem CID20854729
Molecular FormulaC15H9Cl2N3O2
Molecular Weight334.16 g/mol
Exact Mass333.01
IUPAC Name4-(2,4-dichlorophenyl)-3-(furan-2-yl)-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one
SMILESO=C1NC(c2ccc(Cl)cc2Cl)c2c1n[nH]c2-c1ccco1
InChIInChI=1S/C15H9Cl2N3O2/c16-7-3-4-8(9(17)6-7)12-11-13(10-2-1-5-22-10)19-20-14(11)15(21)18-12/h1-6,12H,(H,18,21)(H,19,20)
InChIKeyHEEAULGOJVGACF-UHFFFAOYSA-N
XLogP3.81
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.16
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenyl)-3-(furan-2-yl)-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one?
The IUPAC name of 4-(2,4-dichlorophenyl)-3-(furan-2-yl)-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one (CID 20854729) is 4-(2,4-dichlorophenyl)-3-(furan-2-yl)-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one.
What is the SMILES notation for 4-(2,4-dichlorophenyl)-3-(furan-2-yl)-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one?
The canonical SMILES for 4-(2,4-dichlorophenyl)-3-(furan-2-yl)-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one is O=C1NC(c2ccc(Cl)cc2Cl)c2c1n[nH]c2-c1ccco1.
What is the InChIKey of 4-(2,4-dichlorophenyl)-3-(furan-2-yl)-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one?
The InChIKey is HEEAULGOJVGACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2N3O2/c16-7-3-4-8(9(17)6-7)12-11-13(10-2-1-5-22-10)19-20-14(11)15(21)18-12/h1-6,12H,(H,18,21)(H,19,20).
What are the key properties of 4-(2,4-dichlorophenyl)-3-(furan-2-yl)-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one?
4-(2,4-dichlorophenyl)-3-(furan-2-yl)-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one has a molecular weight of 334.16 g/mol, XLogP of 3.81, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenyl)-3-(furan-2-yl)-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one is sourced from PubChem (CID 20854729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).