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

C16H19N3O — CID 6490783

IUPAC3,5-dimethyl-4-(4-propan-2-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
SMILESCc1[nH]nc2c1C(c1ccc(C(C)C)cc1)N(C)C2=O
InChIInChI=1S/C16H19N3O/c1-9(2)11-5-7-12(8-6-11)15-13-10(3)17-18-14(13)16(20)19(15)4/h5-9,15H,1-4H3,(H,17,18)
InChIKeyYVPMPKJXUWMZSM-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.02
Rot. Bonds2

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

3,5-dimethyl-4-(4-propan-2-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one (PubChem CID 6490783) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 3,5-dimethyl-4-(4-propan-2-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one.

Molecular Properties

Compound Name3,5-dimethyl-4-(4-propan-2-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
PubChem CID6490783
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name3,5-dimethyl-4-(4-propan-2-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
SMILESCc1[nH]nc2c1C(c1ccc(C(C)C)cc1)N(C)C2=O
InChIInChI=1S/C16H19N3O/c1-9(2)11-5-7-12(8-6-11)15-13-10(3)17-18-14(13)16(20)19(15)4/h5-9,15H,1-4H3,(H,17,18)
InChIKeyYVPMPKJXUWMZSM-UHFFFAOYSA-N
XLogP3.02
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-(4-propan-2-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The IUPAC name of 3,5-dimethyl-4-(4-propan-2-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one (CID 6490783) is 3,5-dimethyl-4-(4-propan-2-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one.
What is the SMILES notation for 3,5-dimethyl-4-(4-propan-2-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The canonical SMILES for 3,5-dimethyl-4-(4-propan-2-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one is Cc1[nH]nc2c1C(c1ccc(C(C)C)cc1)N(C)C2=O.
What is the InChIKey of 3,5-dimethyl-4-(4-propan-2-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The InChIKey is YVPMPKJXUWMZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-9(2)11-5-7-12(8-6-11)15-13-10(3)17-18-14(13)16(20)19(15)4/h5-9,15H,1-4H3,(H,17,18).
What are the key properties of 3,5-dimethyl-4-(4-propan-2-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
3,5-dimethyl-4-(4-propan-2-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one has a molecular weight of 269.35 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-(4-propan-2-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one is sourced from PubChem (CID 6490783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).