4-(2,5-dioxopyrrolidin-1-yl)-N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]benzamide

C22H20N4O3 — CID 167770744

IUPAC4-(2,5-dioxopyrrolidin-1-yl)-N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]benzamide
SMILESCn1cc(-c2ccc(CNC(=O)c3ccc(N4C(=O)CCC4=O)cc3)cc2)cn1
InChIInChI=1S/C22H20N4O3/c1-25-14-18(13-24-25)16-4-2-15(3-5-16)12-23-22(29)17-6-8-19(9-7-17)26-20(27)10-11-21(26)28/h2-9,13-14H,10-12H2,1H3,(H,23,29)
InChIKeyQZRSPPQEQIAXEG-UHFFFAOYSA-N
MW388.43 g/mol
LogP2.67
Rot. Bonds5

About 4-(2,5-dioxopyrrolidin-1-yl)-N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]benzamide

4-(2,5-dioxopyrrolidin-1-yl)-N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]benzamide (PubChem CID 167770744) has the molecular formula C22H20N4O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is 4-(2,5-dioxopyrrolidin-1-yl)-N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-(2,5-dioxopyrrolidin-1-yl)-N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]benzamide
PubChem CID167770744
Molecular FormulaC22H20N4O3
Molecular Weight388.43 g/mol
Exact Mass388.15
IUPAC Name4-(2,5-dioxopyrrolidin-1-yl)-N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]benzamide
SMILESCn1cc(-c2ccc(CNC(=O)c3ccc(N4C(=O)CCC4=O)cc3)cc2)cn1
InChIInChI=1S/C22H20N4O3/c1-25-14-18(13-24-25)16-4-2-15(3-5-16)12-23-22(29)17-6-8-19(9-7-17)26-20(27)10-11-21(26)28/h2-9,13-14H,10-12H2,1H3,(H,23,29)
InChIKeyQZRSPPQEQIAXEG-UHFFFAOYSA-N
XLogP2.67
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 52.67
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-benzyl-6-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 3916665
methyl 4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methylcarbamoyl]benzoate
CID 121022509
N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-4-propylbenzamide
CID 119105294
3-ethoxy-N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]benzamide;formic acid
CID 166155514
1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 19474553
N-[(4-cyanophenyl)methyl]-1-methylpyrazole-4-carboxamide
CID 47161871
N-methyl-1-[4-(1-methylpyrazol-4-yl)phenyl]methanamine
CID 61033287
1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-[[4-(pyridin-4-ylamino)phenyl]methyl]urea
CID 155966979
N-[(1-methylpyrazol-4-yl)methyl]pyridine-4-carboxamide
CID 35523459
4-(dimethylamino)-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 47375355
N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-4-propan-2-yloxybenzamide
CID 121196250
4-(1,5-dimethyl-1,2,4-triazol-3-yl)-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 122561579

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dioxopyrrolidin-1-yl)-N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]benzamide?
The IUPAC name of 4-(2,5-dioxopyrrolidin-1-yl)-N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]benzamide (CID 167770744) is 4-(2,5-dioxopyrrolidin-1-yl)-N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]benzamide.
What is the SMILES notation for 4-(2,5-dioxopyrrolidin-1-yl)-N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]benzamide?
The canonical SMILES for 4-(2,5-dioxopyrrolidin-1-yl)-N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]benzamide is Cn1cc(-c2ccc(CNC(=O)c3ccc(N4C(=O)CCC4=O)cc3)cc2)cn1.
What is the InChIKey of 4-(2,5-dioxopyrrolidin-1-yl)-N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]benzamide?
The InChIKey is QZRSPPQEQIAXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3/c1-25-14-18(13-24-25)16-4-2-15(3-5-16)12-23-22(29)17-6-8-19(9-7-17)26-20(27)10-11-21(26)28/h2-9,13-14H,10-12H2,1H3,(H,23,29).
What are the key properties of 4-(2,5-dioxopyrrolidin-1-yl)-N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]benzamide?
4-(2,5-dioxopyrrolidin-1-yl)-N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]benzamide has a molecular weight of 388.43 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dioxopyrrolidin-1-yl)-N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]benzamide is sourced from PubChem (CID 167770744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).