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

C26H20N4O3 — CID 19346328

IUPAC3-(1,3-dioxoisoindol-2-yl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]benzamide
SMILESCc1ccccc1Cn1cc(NC(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)cn1
InChIInChI=1S/C26H20N4O3/c1-17-7-2-3-8-19(17)15-29-16-20(14-27-29)28-24(31)18-9-6-10-21(13-18)30-25(32)22-11-4-5-12-23(22)26(30)33/h2-14,16H,15H2,1H3,(H,28,31)
InChIKeyGWXVNEGSLPWDQP-UHFFFAOYSA-N
MW436.47 g/mol
LogP4.29
Rot. Bonds5

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

3-(1,3-dioxoisoindol-2-yl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]benzamide (PubChem CID 19346328) has the molecular formula C26H20N4O3 and a molecular weight of 436.47 g/mol. Its IUPAC name is 3-(1,3-dioxoisoindol-2-yl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name3-(1,3-dioxoisoindol-2-yl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]benzamide
PubChem CID19346328
Molecular FormulaC26H20N4O3
Molecular Weight436.47 g/mol
Exact Mass436.15
IUPAC Name3-(1,3-dioxoisoindol-2-yl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]benzamide
SMILESCc1ccccc1Cn1cc(NC(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)cn1
InChIInChI=1S/C26H20N4O3/c1-17-7-2-3-8-19(17)15-29-16-20(14-27-29)28-24(31)18-9-6-10-21(13-18)30-25(32)22-11-4-5-12-23(22)26(30)33/h2-14,16H,15H2,1H3,(H,28,31)
InChIKeyGWXVNEGSLPWDQP-UHFFFAOYSA-N
XLogP4.29
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.47
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-3-(1,3-dioxoisoindol-2-yl)benzamide
CID 19403856
3-(1,3-dioxoisoindol-2-yl)-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19336412
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-3-(1,3-dioxoisoindol-2-yl)benzamide
CID 19410347
1-ethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]pyrazole-4-carboxamide
CID 19280974
3-[(4-bromopyrazol-1-yl)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]benzamide
CID 19346457
3-[(4-bromophenoxy)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]benzamide
CID 4773923
3-[(2,3-dichlorophenoxy)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]benzamide
CID 19346434
1,3-dimethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]pyrazole-4-carboxamide
CID 5074181
N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(1,3-dioxoisoindol-2-yl)benzamide
CID 19287779
N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-2-phenylacetamide
CID 19346309
N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]furan-2-carboxamide
CID 19346357
N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 22427565

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]benzamide?
The IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]benzamide (CID 19346328) is 3-(1,3-dioxoisoindol-2-yl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]benzamide.
What is the SMILES notation for 3-(1,3-dioxoisoindol-2-yl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]benzamide?
The canonical SMILES for 3-(1,3-dioxoisoindol-2-yl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]benzamide is Cc1ccccc1Cn1cc(NC(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)cn1.
What is the InChIKey of 3-(1,3-dioxoisoindol-2-yl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]benzamide?
The InChIKey is GWXVNEGSLPWDQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N4O3/c1-17-7-2-3-8-19(17)15-29-16-20(14-27-29)28-24(31)18-9-6-10-21(13-18)30-25(32)22-11-4-5-12-23(22)26(30)33/h2-14,16H,15H2,1H3,(H,28,31).
What are the key properties of 3-(1,3-dioxoisoindol-2-yl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]benzamide?
3-(1,3-dioxoisoindol-2-yl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]benzamide has a molecular weight of 436.47 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxoisoindol-2-yl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]benzamide is sourced from PubChem (CID 19346328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).