4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)benzamide

C20H16N4O3 — CID 60519196

IUPAC4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)benzamide
SMILESCc1cc(NC(=O)c2ccc(CN3C(=O)c4ccccc4C3=O)cc2)n[nH]1
InChIInChI=1S/C20H16N4O3/c1-12-10-17(23-22-12)21-18(25)14-8-6-13(7-9-14)11-24-19(26)15-4-2-3-5-16(15)20(24)27/h2-10H,11H2,1H3,(H2,21,22,23,25)
InChIKeyRLIXNSYPNHAOJY-UHFFFAOYSA-N
MW360.37 g/mol
LogP2.77
Rot. Bonds4

About 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)benzamide

4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)benzamide (PubChem CID 60519196) has the molecular formula C20H16N4O3 and a molecular weight of 360.37 g/mol. Its IUPAC name is 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)benzamide.

Molecular Properties

Compound Name4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)benzamide
PubChem CID60519196
Molecular FormulaC20H16N4O3
Molecular Weight360.37 g/mol
Exact Mass360.12
IUPAC Name4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)benzamide
SMILESCc1cc(NC(=O)c2ccc(CN3C(=O)c4ccccc4C3=O)cc2)n[nH]1
InChIInChI=1S/C20H16N4O3/c1-12-10-17(23-22-12)21-18(25)14-8-6-13(7-9-14)11-24-19(26)15-4-2-3-5-16(15)20(24)27/h2-10H,11H2,1H3,(H2,21,22,23,25)
InChIKeyRLIXNSYPNHAOJY-UHFFFAOYSA-N
XLogP2.77
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(6-methyl-2-pyridinyl)benzamide
CID 32700452
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]benzamide
CID 36861383
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-phenylbenzamide
CID 2995396
N'-chloro-3-(1,3-dioxoisoindol-2-yl)-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)propanimidamide
CID 20646318
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 17361609
2-[3-[[4-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]amino]phenoxy]acetic acid
CID 17342168
N-(2,6-diethylphenyl)-4-[(1,3-dioxoisoindol-2-yl)methyl]benzamide
CID 31820336
2-[(4-methoxyphenyl)methyl]-1,3-dioxo-N-pyridin-2-ylisoindole-5-carboxamide
CID 29129723
N-(5-methyl-1H-pyrazol-3-yl)-4-pyrrol-1-ylbenzamide
CID 47255659
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-[4-[(2-methoxyacetyl)amino]phenyl]benzamide
CID 38329840
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-methoxyphenyl)benzamide
CID 2994520
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-methylsulfanylphenyl)benzamide
CID 33012346

Frequently Asked Questions

What is the IUPAC name of 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)benzamide?
The IUPAC name of 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)benzamide (CID 60519196) is 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)benzamide.
What is the SMILES notation for 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)benzamide?
The canonical SMILES for 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)benzamide is Cc1cc(NC(=O)c2ccc(CN3C(=O)c4ccccc4C3=O)cc2)n[nH]1.
What is the InChIKey of 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)benzamide?
The InChIKey is RLIXNSYPNHAOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O3/c1-12-10-17(23-22-12)21-18(25)14-8-6-13(7-9-14)11-24-19(26)15-4-2-3-5-16(15)20(24)27/h2-10H,11H2,1H3,(H2,21,22,23,25).
What are the key properties of 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)benzamide?
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)benzamide has a molecular weight of 360.37 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)benzamide is sourced from PubChem (CID 60519196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).