5-cyclopentyl-3-phenyl-4-(4-propan-2-ylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one

C25H27N3O — CID 43855269

IUPAC5-cyclopentyl-3-phenyl-4-(4-propan-2-ylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
SMILESCC(C)c1ccc(C2c3c(-c4ccccc4)n[nH]c3C(=O)N2C2CCCC2)cc1
InChIInChI=1S/C25H27N3O/c1-16(2)17-12-14-19(15-13-17)24-21-22(18-8-4-3-5-9-18)26-27-23(21)25(29)28(24)20-10-6-7-11-20/h3-5,8-9,12-16,20,24H,6-7,10-11H2,1-2H3,(H,26,27)
InChIKeyYFSJTZJOHIJNGA-UHFFFAOYSA-N
MW385.51 g/mol
LogP5.69
Rot. Bonds4

About 5-cyclopentyl-3-phenyl-4-(4-propan-2-ylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one

5-cyclopentyl-3-phenyl-4-(4-propan-2-ylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one (PubChem CID 43855269) has the molecular formula C25H27N3O and a molecular weight of 385.51 g/mol. Its IUPAC name is 5-cyclopentyl-3-phenyl-4-(4-propan-2-ylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one.

Molecular Properties

Compound Name5-cyclopentyl-3-phenyl-4-(4-propan-2-ylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
PubChem CID43855269
Molecular FormulaC25H27N3O
Molecular Weight385.51 g/mol
Exact Mass385.22
IUPAC Name5-cyclopentyl-3-phenyl-4-(4-propan-2-ylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
SMILESCC(C)c1ccc(C2c3c(-c4ccccc4)n[nH]c3C(=O)N2C2CCCC2)cc1
InChIInChI=1S/C25H27N3O/c1-16(2)17-12-14-19(15-13-17)24-21-22(18-8-4-3-5-9-18)26-27-23(21)25(29)28(24)20-10-6-7-11-20/h3-5,8-9,12-16,20,24H,6-7,10-11H2,1-2H3,(H,26,27)
InChIKeyYFSJTZJOHIJNGA-UHFFFAOYSA-N
XLogP5.69
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.51
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-3-phenyl-4-(4-propan-2-ylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
The IUPAC name of 5-cyclopentyl-3-phenyl-4-(4-propan-2-ylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one (CID 43855269) is 5-cyclopentyl-3-phenyl-4-(4-propan-2-ylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one.
What is the SMILES notation for 5-cyclopentyl-3-phenyl-4-(4-propan-2-ylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
The canonical SMILES for 5-cyclopentyl-3-phenyl-4-(4-propan-2-ylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one is CC(C)c1ccc(C2c3c(-c4ccccc4)n[nH]c3C(=O)N2C2CCCC2)cc1.
What is the InChIKey of 5-cyclopentyl-3-phenyl-4-(4-propan-2-ylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
The InChIKey is YFSJTZJOHIJNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O/c1-16(2)17-12-14-19(15-13-17)24-21-22(18-8-4-3-5-9-18)26-27-23(21)25(29)28(24)20-10-6-7-11-20/h3-5,8-9,12-16,20,24H,6-7,10-11H2,1-2H3,(H,26,27).
What are the key properties of 5-cyclopentyl-3-phenyl-4-(4-propan-2-ylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
5-cyclopentyl-3-phenyl-4-(4-propan-2-ylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one has a molecular weight of 385.51 g/mol, XLogP of 5.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-3-phenyl-4-(4-propan-2-ylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one is sourced from PubChem (CID 43855269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).