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

C14H13FN4O2 — CID 23645983

IUPACN-(5-acetyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)-3-fluorobenzamide
SMILESCC(=O)N1Cc2[nH]nc(NC(=O)c3cccc(F)c3)c2C1
InChIInChI=1S/C14H13FN4O2/c1-8(20)19-6-11-12(7-19)17-18-13(11)16-14(21)9-3-2-4-10(15)5-9/h2-5H,6-7H2,1H3,(H2,16,17,18,21)
InChIKeyOIGXEDXBMLAHJI-UHFFFAOYSA-N
MW288.28 g/mol
LogP1.66
Rot. Bonds2

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

N-(5-acetyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)-3-fluorobenzamide (PubChem CID 23645983) has the molecular formula C14H13FN4O2 and a molecular weight of 288.28 g/mol. Its IUPAC name is N-(5-acetyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)-3-fluorobenzamide.

Molecular Properties

Compound NameN-(5-acetyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)-3-fluorobenzamide
PubChem CID23645983
Molecular FormulaC14H13FN4O2
Molecular Weight288.28 g/mol
Exact Mass288.10
IUPAC NameN-(5-acetyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)-3-fluorobenzamide
SMILESCC(=O)N1Cc2[nH]nc(NC(=O)c3cccc(F)c3)c2C1
InChIInChI=1S/C14H13FN4O2/c1-8(20)19-6-11-12(7-19)17-18-13(11)16-14(21)9-3-2-4-10(15)5-9/h2-5H,6-7H2,1H3,(H2,16,17,18,21)
InChIKeyOIGXEDXBMLAHJI-UHFFFAOYSA-N
XLogP1.66
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 51.66
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)-3-fluorobenzamide?
The IUPAC name of N-(5-acetyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)-3-fluorobenzamide (CID 23645983) is N-(5-acetyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)-3-fluorobenzamide.
What is the SMILES notation for N-(5-acetyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)-3-fluorobenzamide?
The canonical SMILES for N-(5-acetyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)-3-fluorobenzamide is CC(=O)N1Cc2[nH]nc(NC(=O)c3cccc(F)c3)c2C1.
What is the InChIKey of N-(5-acetyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)-3-fluorobenzamide?
The InChIKey is OIGXEDXBMLAHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4O2/c1-8(20)19-6-11-12(7-19)17-18-13(11)16-14(21)9-3-2-4-10(15)5-9/h2-5H,6-7H2,1H3,(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)-3-fluorobenzamide?
N-(5-acetyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)-3-fluorobenzamide has a molecular weight of 288.28 g/mol, XLogP of 1.66, 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)-3-fluorobenzamide is sourced from PubChem (CID 23645983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).