N-[1-acetyl-5-(2-methylpropanoyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]benzamide

C18H20N4O3 — CID 141308575

IUPACN-[1-acetyl-5-(2-methylpropanoyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]benzamide
SMILESCC(=O)n1nc(NC(=O)c2ccccc2)c2c1CN(C(=O)C(C)C)C2
InChIInChI=1S/C18H20N4O3/c1-11(2)18(25)21-9-14-15(10-21)22(12(3)23)20-16(14)19-17(24)13-7-5-4-6-8-13/h4-8,11H,9-10H2,1-3H3,(H,19,20,24)
InChIKeyHUXHXBBAOYUOTR-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.29
Rot. Bonds3

About N-[1-acetyl-5-(2-methylpropanoyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]benzamide

N-[1-acetyl-5-(2-methylpropanoyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]benzamide (PubChem CID 141308575) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-[1-acetyl-5-(2-methylpropanoyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]benzamide.

Molecular Properties

Compound NameN-[1-acetyl-5-(2-methylpropanoyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]benzamide
PubChem CID141308575
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC NameN-[1-acetyl-5-(2-methylpropanoyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]benzamide
SMILESCC(=O)n1nc(NC(=O)c2ccccc2)c2c1CN(C(=O)C(C)C)C2
InChIInChI=1S/C18H20N4O3/c1-11(2)18(25)21-9-14-15(10-21)22(12(3)23)20-16(14)19-17(24)13-7-5-4-6-8-13/h4-8,11H,9-10H2,1-3H3,(H,19,20,24)
InChIKeyHUXHXBBAOYUOTR-UHFFFAOYSA-N
XLogP2.29
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 3-[(4-fluorobenzoyl)amino]-1-(2-methylpropanoyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate
CID 141417095
N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]benzamide
CID 1055949
1-benzoyl-N-butyl-3-[(4-methylbenzoyl)amino]-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide
CID 54767644
N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-4-phenylbenzamide
CID 17273882
3-benzamido-N,N-dimethyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide
CID 71477723
N-[1-formyl-5-[(2R)-2-methoxy-2-phenylacetyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
CID 173040407
N-[1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]benzamide
CID 46020232
tert-butyl 1-(cyclopropanecarbonyl)-3-[(4-methylbenzoyl)amino]-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate
CID 71476793
1-benzamido-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylic acid
CID 174593418
N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-4-propan-2-ylbenzamide
CID 40604042
N-[4-[4-(2-methylpropanoyl)piperazine-1-carbonyl]phenyl]acetamide
CID 110800200
N-[3-(azepane-1-carbonyl)pyrazin-2-yl]benzamide
CID 53166582

Frequently Asked Questions

What is the IUPAC name of N-[1-acetyl-5-(2-methylpropanoyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]benzamide?
The IUPAC name of N-[1-acetyl-5-(2-methylpropanoyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]benzamide (CID 141308575) is N-[1-acetyl-5-(2-methylpropanoyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]benzamide.
What is the SMILES notation for N-[1-acetyl-5-(2-methylpropanoyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]benzamide?
The canonical SMILES for N-[1-acetyl-5-(2-methylpropanoyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]benzamide is CC(=O)n1nc(NC(=O)c2ccccc2)c2c1CN(C(=O)C(C)C)C2.
What is the InChIKey of N-[1-acetyl-5-(2-methylpropanoyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]benzamide?
The InChIKey is HUXHXBBAOYUOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-11(2)18(25)21-9-14-15(10-21)22(12(3)23)20-16(14)19-17(24)13-7-5-4-6-8-13/h4-8,11H,9-10H2,1-3H3,(H,19,20,24).
What are the key properties of N-[1-acetyl-5-(2-methylpropanoyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]benzamide?
N-[1-acetyl-5-(2-methylpropanoyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]benzamide has a molecular weight of 340.38 g/mol, XLogP of 2.29, 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-(2-methylpropanoyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]benzamide is sourced from PubChem (CID 141308575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).