5-methyl-1-phenyl-4,6-dihydropyrrolo[3,4-d]pyrazole-3-carbonitrile

C13H12N4 — CID 105481958

IUPAC5-methyl-1-phenyl-4,6-dihydropyrrolo[3,4-d]pyrazole-3-carbonitrile
SMILESCN1Cc2c(C#N)nn(-c3ccccc3)c2C1
InChIInChI=1S/C13H12N4/c1-16-8-11-12(7-14)15-17(13(11)9-16)10-5-3-2-4-6-10/h2-6H,8-9H2,1H3
InChIKeyQGWDIECCOGBHCQ-UHFFFAOYSA-N
MW224.27 g/mol
LogP1.69
Rot. Bonds1

About 5-methyl-1-phenyl-4,6-dihydropyrrolo[3,4-d]pyrazole-3-carbonitrile

5-methyl-1-phenyl-4,6-dihydropyrrolo[3,4-d]pyrazole-3-carbonitrile (PubChem CID 105481958) has the molecular formula C13H12N4 and a molecular weight of 224.27 g/mol. Its IUPAC name is 5-methyl-1-phenyl-4,6-dihydropyrrolo[3,4-d]pyrazole-3-carbonitrile.

Molecular Properties

Compound Name5-methyl-1-phenyl-4,6-dihydropyrrolo[3,4-d]pyrazole-3-carbonitrile
PubChem CID105481958
Molecular FormulaC13H12N4
Molecular Weight224.27 g/mol
Exact Mass224.11
IUPAC Name5-methyl-1-phenyl-4,6-dihydropyrrolo[3,4-d]pyrazole-3-carbonitrile
SMILESCN1Cc2c(C#N)nn(-c3ccccc3)c2C1
InChIInChI=1S/C13H12N4/c1-16-8-11-12(7-14)15-17(13(11)9-16)10-5-3-2-4-6-10/h2-6H,8-9H2,1H3
InChIKeyQGWDIECCOGBHCQ-UHFFFAOYSA-N
XLogP1.69
TPSA44.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-phenyl-4,6-dihydropyrrolo[3,4-d]pyrazole-3-carbonitrile?
The IUPAC name of 5-methyl-1-phenyl-4,6-dihydropyrrolo[3,4-d]pyrazole-3-carbonitrile (CID 105481958) is 5-methyl-1-phenyl-4,6-dihydropyrrolo[3,4-d]pyrazole-3-carbonitrile.
What is the SMILES notation for 5-methyl-1-phenyl-4,6-dihydropyrrolo[3,4-d]pyrazole-3-carbonitrile?
The canonical SMILES for 5-methyl-1-phenyl-4,6-dihydropyrrolo[3,4-d]pyrazole-3-carbonitrile is CN1Cc2c(C#N)nn(-c3ccccc3)c2C1.
What is the InChIKey of 5-methyl-1-phenyl-4,6-dihydropyrrolo[3,4-d]pyrazole-3-carbonitrile?
The InChIKey is QGWDIECCOGBHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4/c1-16-8-11-12(7-14)15-17(13(11)9-16)10-5-3-2-4-6-10/h2-6H,8-9H2,1H3.
What are the key properties of 5-methyl-1-phenyl-4,6-dihydropyrrolo[3,4-d]pyrazole-3-carbonitrile?
5-methyl-1-phenyl-4,6-dihydropyrrolo[3,4-d]pyrazole-3-carbonitrile has a molecular weight of 224.27 g/mol, XLogP of 1.69, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-phenyl-4,6-dihydropyrrolo[3,4-d]pyrazole-3-carbonitrile is sourced from PubChem (CID 105481958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).