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

C14H14N4O2 — CID 23586142

IUPACN-(5-acetyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)benzamide
SMILESCC(=O)N1Cc2[nH]nc(NC(=O)c3ccccc3)c2C1
InChIInChI=1S/C14H14N4O2/c1-9(19)18-7-11-12(8-18)16-17-13(11)15-14(20)10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H2,15,16,17,20)
InChIKeyQFUFUFXGHREKDQ-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.52
Rot. Bonds2

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

N-(5-acetyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)benzamide (PubChem CID 23586142) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is N-(5-acetyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)benzamide.

Molecular Properties

Compound NameN-(5-acetyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)benzamide
PubChem CID23586142
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC NameN-(5-acetyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)benzamide
SMILESCC(=O)N1Cc2[nH]nc(NC(=O)c3ccccc3)c2C1
InChIInChI=1S/C14H14N4O2/c1-9(19)18-7-11-12(8-18)16-17-13(11)15-14(20)10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H2,15,16,17,20)
InChIKeyQFUFUFXGHREKDQ-UHFFFAOYSA-N
XLogP1.52
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.52
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)benzamide?
The IUPAC name of N-(5-acetyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)benzamide (CID 23586142) is N-(5-acetyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)benzamide.
What is the SMILES notation for N-(5-acetyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)benzamide?
The canonical SMILES for N-(5-acetyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)benzamide is CC(=O)N1Cc2[nH]nc(NC(=O)c3ccccc3)c2C1.
What is the InChIKey of N-(5-acetyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)benzamide?
The InChIKey is QFUFUFXGHREKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-9(19)18-7-11-12(8-18)16-17-13(11)15-14(20)10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H2,15,16,17,20).
What are the key properties of N-(5-acetyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)benzamide?
N-(5-acetyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)benzamide has a molecular weight of 270.29 g/mol, XLogP of 1.52, 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)benzamide is sourced from PubChem (CID 23586142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).