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

C15H13N5O2 — CID 23645982

IUPACN-(5-acetyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)-4-cyanobenzamide
SMILESCC(=O)N1Cc2[nH]nc(NC(=O)c3ccc(C#N)cc3)c2C1
InChIInChI=1S/C15H13N5O2/c1-9(21)20-7-12-13(8-20)18-19-14(12)17-15(22)11-4-2-10(6-16)3-5-11/h2-5H,7-8H2,1H3,(H2,17,18,19,22)
InChIKeyINFKSNNETMNNPG-UHFFFAOYSA-N
MW295.30 g/mol
LogP1.40
Rot. Bonds2

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

N-(5-acetyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)-4-cyanobenzamide (PubChem CID 23645982) has the molecular formula C15H13N5O2 and a molecular weight of 295.30 g/mol. Its IUPAC name is N-(5-acetyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)-4-cyanobenzamide.

Molecular Properties

Compound NameN-(5-acetyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)-4-cyanobenzamide
PubChem CID23645982
Molecular FormulaC15H13N5O2
Molecular Weight295.30 g/mol
Exact Mass295.11
IUPAC NameN-(5-acetyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)-4-cyanobenzamide
SMILESCC(=O)N1Cc2[nH]nc(NC(=O)c3ccc(C#N)cc3)c2C1
InChIInChI=1S/C15H13N5O2/c1-9(21)20-7-12-13(8-20)18-19-14(12)17-15(22)11-4-2-10(6-16)3-5-11/h2-5H,7-8H2,1H3,(H2,17,18,19,22)
InChIKeyINFKSNNETMNNPG-UHFFFAOYSA-N
XLogP1.40
TPSA101.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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-cyanobenzamide?
The IUPAC name of N-(5-acetyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)-4-cyanobenzamide (CID 23645982) is N-(5-acetyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)-4-cyanobenzamide.
What is the SMILES notation for N-(5-acetyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)-4-cyanobenzamide?
The canonical SMILES for N-(5-acetyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)-4-cyanobenzamide is CC(=O)N1Cc2[nH]nc(NC(=O)c3ccc(C#N)cc3)c2C1.
What is the InChIKey of N-(5-acetyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)-4-cyanobenzamide?
The InChIKey is INFKSNNETMNNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O2/c1-9(21)20-7-12-13(8-20)18-19-14(12)17-15(22)11-4-2-10(6-16)3-5-11/h2-5H,7-8H2,1H3,(H2,17,18,19,22).
What are the key properties of N-(5-acetyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)-4-cyanobenzamide?
N-(5-acetyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)-4-cyanobenzamide has a molecular weight of 295.30 g/mol, XLogP of 1.40, 2 rotatable bonds, 2 hydrogen bond donors, and 4 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-cyanobenzamide is sourced from PubChem (CID 23645982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).