N-(1-acetyl-5-benzoyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)benzamide

C21H18N4O3 — CID 71462225

IUPACN-(1-acetyl-5-benzoyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)benzamide
SMILESCC(=O)n1nc(NC(=O)c2ccccc2)c2c1CN(C(=O)c1ccccc1)C2
InChIInChI=1S/C21H18N4O3/c1-14(26)25-18-13-24(21(28)16-10-6-3-7-11-16)12-17(18)19(23-25)22-20(27)15-8-4-2-5-9-15/h2-11H,12-13H2,1H3,(H,22,23,27)
InChIKeyYNUZRVCWZGUBPS-UHFFFAOYSA-N
MW374.40 g/mol
LogP2.95
Rot. Bonds3

About N-(1-acetyl-5-benzoyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)benzamide

N-(1-acetyl-5-benzoyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)benzamide (PubChem CID 71462225) has the molecular formula C21H18N4O3 and a molecular weight of 374.40 g/mol. Its IUPAC name is N-(1-acetyl-5-benzoyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)benzamide.

Molecular Properties

Compound NameN-(1-acetyl-5-benzoyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)benzamide
PubChem CID71462225
Molecular FormulaC21H18N4O3
Molecular Weight374.40 g/mol
Exact Mass374.14
IUPAC NameN-(1-acetyl-5-benzoyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)benzamide
SMILESCC(=O)n1nc(NC(=O)c2ccccc2)c2c1CN(C(=O)c1ccccc1)C2
InChIInChI=1S/C21H18N4O3/c1-14(26)25-18-13-24(21(28)16-10-6-3-7-11-16)12-17(18)19(23-25)22-20(27)15-8-4-2-5-9-15/h2-11H,12-13H2,1H3,(H,22,23,27)
InChIKeyYNUZRVCWZGUBPS-UHFFFAOYSA-N
XLogP2.95
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-5-benzoyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)benzamide?
The IUPAC name of N-(1-acetyl-5-benzoyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)benzamide (CID 71462225) is N-(1-acetyl-5-benzoyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)benzamide.
What is the SMILES notation for N-(1-acetyl-5-benzoyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)benzamide?
The canonical SMILES for N-(1-acetyl-5-benzoyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)benzamide is CC(=O)n1nc(NC(=O)c2ccccc2)c2c1CN(C(=O)c1ccccc1)C2.
What is the InChIKey of N-(1-acetyl-5-benzoyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)benzamide?
The InChIKey is YNUZRVCWZGUBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3/c1-14(26)25-18-13-24(21(28)16-10-6-3-7-11-16)12-17(18)19(23-25)22-20(27)15-8-4-2-5-9-15/h2-11H,12-13H2,1H3,(H,22,23,27).
What are the key properties of N-(1-acetyl-5-benzoyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)benzamide?
N-(1-acetyl-5-benzoyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)benzamide has a molecular weight of 374.40 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetyl-5-benzoyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)benzamide is sourced from PubChem (CID 71462225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).