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

C15H16N4O3 — CID 23645981

IUPACN-(5-acetyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2n[nH]c3c2CN(C(C)=O)C3)cc1
InChIInChI=1S/C15H16N4O3/c1-9(20)19-7-12-13(8-19)17-18-14(12)16-15(21)10-3-5-11(22-2)6-4-10/h3-6H,7-8H2,1-2H3,(H2,16,17,18,21)
InChIKeyWKUZSVHNZTYTJG-UHFFFAOYSA-N
MW300.32 g/mol
LogP1.53
Rot. Bonds3

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

N-(5-acetyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)-4-methoxybenzamide (PubChem CID 23645981) has the molecular formula C15H16N4O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is N-(5-acetyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)-4-methoxybenzamide.

Molecular Properties

Compound NameN-(5-acetyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)-4-methoxybenzamide
PubChem CID23645981
Molecular FormulaC15H16N4O3
Molecular Weight300.32 g/mol
Exact Mass300.12
IUPAC NameN-(5-acetyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2n[nH]c3c2CN(C(C)=O)C3)cc1
InChIInChI=1S/C15H16N4O3/c1-9(20)19-7-12-13(8-19)17-18-14(12)16-15(21)10-3-5-11(22-2)6-4-10/h3-6H,7-8H2,1-2H3,(H2,16,17,18,21)
InChIKeyWKUZSVHNZTYTJG-UHFFFAOYSA-N
XLogP1.53
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 51.53
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-methoxybenzamide?
The IUPAC name of N-(5-acetyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)-4-methoxybenzamide (CID 23645981) is N-(5-acetyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)-4-methoxybenzamide.
What is the SMILES notation for N-(5-acetyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)-4-methoxybenzamide?
The canonical SMILES for N-(5-acetyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)-4-methoxybenzamide is COc1ccc(C(=O)Nc2n[nH]c3c2CN(C(C)=O)C3)cc1.
What is the InChIKey of N-(5-acetyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)-4-methoxybenzamide?
The InChIKey is WKUZSVHNZTYTJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3/c1-9(20)19-7-12-13(8-19)17-18-14(12)16-15(21)10-3-5-11(22-2)6-4-10/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-methoxybenzamide?
N-(5-acetyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)-4-methoxybenzamide has a molecular weight of 300.32 g/mol, XLogP of 1.53, 3 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-methoxybenzamide is sourced from PubChem (CID 23645981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).