5-(3-chlorophenyl)-4-(4-chlorophenyl)-3-propan-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one

C20H17Cl2N3O — CID 155532296

IUPAC5-(3-chlorophenyl)-4-(4-chlorophenyl)-3-propan-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
SMILESCC(C)c1[nH]nc2c1C(c1ccc(Cl)cc1)N(c1cccc(Cl)c1)C2=O
InChIInChI=1S/C20H17Cl2N3O/c1-11(2)17-16-18(24-23-17)20(26)25(15-5-3-4-14(22)10-15)19(16)12-6-8-13(21)9-7-12/h3-11,19H,1-2H3,(H,23,24)
InChIKeyCYXQIJHEHCKUOJ-UHFFFAOYSA-N
MW386.28 g/mol
LogP5.59
Rot. Bonds3

About 5-(3-chlorophenyl)-4-(4-chlorophenyl)-3-propan-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one

5-(3-chlorophenyl)-4-(4-chlorophenyl)-3-propan-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one (PubChem CID 155532296) has the molecular formula C20H17Cl2N3O and a molecular weight of 386.28 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-4-(4-chlorophenyl)-3-propan-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one.

Molecular Properties

Compound Name5-(3-chlorophenyl)-4-(4-chlorophenyl)-3-propan-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
PubChem CID155532296
Molecular FormulaC20H17Cl2N3O
Molecular Weight386.28 g/mol
Exact Mass385.07
IUPAC Name5-(3-chlorophenyl)-4-(4-chlorophenyl)-3-propan-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
SMILESCC(C)c1[nH]nc2c1C(c1ccc(Cl)cc1)N(c1cccc(Cl)c1)C2=O
InChIInChI=1S/C20H17Cl2N3O/c1-11(2)17-16-18(24-23-17)20(26)25(15-5-3-4-14(22)10-15)19(16)12-6-8-13(21)9-7-12/h3-11,19H,1-2H3,(H,23,24)
InChIKeyCYXQIJHEHCKUOJ-UHFFFAOYSA-N
XLogP5.59
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.28
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-(3-chlorophenyl)-4-(4-chlorophenyl)-3-propan-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-4-(4-chlorophenyl)-3-propan-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The IUPAC name of 5-(3-chlorophenyl)-4-(4-chlorophenyl)-3-propan-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one (CID 155532296) is 5-(3-chlorophenyl)-4-(4-chlorophenyl)-3-propan-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one.
What is the SMILES notation for 5-(3-chlorophenyl)-4-(4-chlorophenyl)-3-propan-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The canonical SMILES for 5-(3-chlorophenyl)-4-(4-chlorophenyl)-3-propan-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one is CC(C)c1[nH]nc2c1C(c1ccc(Cl)cc1)N(c1cccc(Cl)c1)C2=O.
What is the InChIKey of 5-(3-chlorophenyl)-4-(4-chlorophenyl)-3-propan-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The InChIKey is CYXQIJHEHCKUOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2N3O/c1-11(2)17-16-18(24-23-17)20(26)25(15-5-3-4-14(22)10-15)19(16)12-6-8-13(21)9-7-12/h3-11,19H,1-2H3,(H,23,24).
What are the key properties of 5-(3-chlorophenyl)-4-(4-chlorophenyl)-3-propan-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
5-(3-chlorophenyl)-4-(4-chlorophenyl)-3-propan-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one has a molecular weight of 386.28 g/mol, XLogP of 5.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-4-(4-chlorophenyl)-3-propan-2-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one is sourced from PubChem (CID 155532296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).