N-(5-acetyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)-4-methylbenzamide

C15H16N4O2 — CID 23645979

IUPACN-(5-acetyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)-4-methylbenzamide
SMILESCC(=O)N1Cc2[nH]nc(NC(=O)c3ccc(C)cc3)c2C1
InChIInChI=1S/C15H16N4O2/c1-9-3-5-11(6-4-9)15(21)16-14-12-7-19(10(2)20)8-13(12)17-18-14/h3-6H,7-8H2,1-2H3,(H2,16,17,18,21)
InChIKeyAUBRDCSUKBUOFM-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.83
Rot. Bonds2

About N-(5-acetyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)-4-methylbenzamide

N-(5-acetyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)-4-methylbenzamide (PubChem CID 23645979) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is N-(5-acetyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)-4-methylbenzamide.

Molecular Properties

Compound NameN-(5-acetyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)-4-methylbenzamide
PubChem CID23645979
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC NameN-(5-acetyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)-4-methylbenzamide
SMILESCC(=O)N1Cc2[nH]nc(NC(=O)c3ccc(C)cc3)c2C1
InChIInChI=1S/C15H16N4O2/c1-9-3-5-11(6-4-9)15(21)16-14-12-7-19(10(2)20)8-13(12)17-18-14/h3-6H,7-8H2,1-2H3,(H2,16,17,18,21)
InChIKeyAUBRDCSUKBUOFM-UHFFFAOYSA-N
XLogP1.83
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)-4-methylbenzamide?
The IUPAC name of N-(5-acetyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)-4-methylbenzamide (CID 23645979) is N-(5-acetyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)-4-methylbenzamide.
What is the SMILES notation for N-(5-acetyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)-4-methylbenzamide?
The canonical SMILES for N-(5-acetyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)-4-methylbenzamide is CC(=O)N1Cc2[nH]nc(NC(=O)c3ccc(C)cc3)c2C1.
What is the InChIKey of N-(5-acetyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)-4-methylbenzamide?
The InChIKey is AUBRDCSUKBUOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-9-3-5-11(6-4-9)15(21)16-14-12-7-19(10(2)20)8-13(12)17-18-14/h3-6H,7-8H2,1-2H3,(H2,16,17,18,21).
What are the key properties of N-(5-acetyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)-4-methylbenzamide?
N-(5-acetyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)-4-methylbenzamide has a molecular weight of 284.32 g/mol, XLogP of 1.83, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)-4-methylbenzamide is sourced from PubChem (CID 23645979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).