N-(1-benzylpyrazol-4-yl)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzamide

C27H22N4O4 — CID 55981745

IUPACN-(1-benzylpyrazol-4-yl)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzamide
SMILESCOc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)Nc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C27H22N4O4/c1-35-24-12-11-19(16-31-26(33)21-9-5-6-10-22(21)27(31)34)13-23(24)25(32)29-20-14-28-30(17-20)15-18-7-3-2-4-8-18/h2-14,17H,15-16H2,1H3,(H,29,32)
InChIKeyLFQDWRMDOSLPOB-UHFFFAOYSA-N
MW466.50 g/mol
LogP3.99
Rot. Bonds7

About N-(1-benzylpyrazol-4-yl)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzamide

N-(1-benzylpyrazol-4-yl)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzamide (PubChem CID 55981745) has the molecular formula C27H22N4O4 and a molecular weight of 466.50 g/mol. Its IUPAC name is N-(1-benzylpyrazol-4-yl)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-(1-benzylpyrazol-4-yl)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzamide
PubChem CID55981745
Molecular FormulaC27H22N4O4
Molecular Weight466.50 g/mol
Exact Mass466.16
IUPAC NameN-(1-benzylpyrazol-4-yl)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzamide
SMILESCOc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)Nc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C27H22N4O4/c1-35-24-12-11-19(16-31-26(33)21-9-5-6-10-22(21)27(31)34)13-23(24)25(32)29-20-14-28-30(17-20)15-18-7-3-2-4-8-18/h2-14,17H,15-16H2,1H3,(H,29,32)
InChIKeyLFQDWRMDOSLPOB-UHFFFAOYSA-N
XLogP3.99
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.50
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzamide
CID 7945607
N-(3,4-dimethylphenyl)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzamide
CID 8743510
N-(3,4-difluorophenyl)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzamide
CID 18229091
2-methoxy-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]benzamide
CID 19410106
5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-pyridin-2-ylbenzamide
CID 35034064
5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 7916782
N-(2-benzyl-1,3-dioxoisoindol-5-yl)-2-methoxybenzamide
CID 142452689
5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-(1,3-thiazol-2-yl)benzamide
CID 3986774
5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
CID 26686873
methyl 2-[[4-[(5-chloro-2-methoxybenzoyl)amino]pyrazol-1-yl]methyl]benzoate
CID 19402411
2-methoxyethyl 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzoate
CID 46541751
5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-[2-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 55672767

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrazol-4-yl)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzamide?
The IUPAC name of N-(1-benzylpyrazol-4-yl)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzamide (CID 55981745) is N-(1-benzylpyrazol-4-yl)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzamide.
What is the SMILES notation for N-(1-benzylpyrazol-4-yl)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzamide?
The canonical SMILES for N-(1-benzylpyrazol-4-yl)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzamide is COc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)Nc1cnn(Cc2ccccc2)c1.
What is the InChIKey of N-(1-benzylpyrazol-4-yl)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzamide?
The InChIKey is LFQDWRMDOSLPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N4O4/c1-35-24-12-11-19(16-31-26(33)21-9-5-6-10-22(21)27(31)34)13-23(24)25(32)29-20-14-28-30(17-20)15-18-7-3-2-4-8-18/h2-14,17H,15-16H2,1H3,(H,29,32).
What are the key properties of N-(1-benzylpyrazol-4-yl)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzamide?
N-(1-benzylpyrazol-4-yl)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzamide has a molecular weight of 466.50 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrazol-4-yl)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzamide is sourced from PubChem (CID 55981745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).