N-[(1-benzylpyrazol-4-yl)methyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide

C23H24N4O2 — CID 86990134

IUPACN-[(1-benzylpyrazol-4-yl)methyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
SMILESO=C(NCc1cnn(Cc2ccccc2)c1)c1ccc(CN2CCCC2=O)cc1
InChIInChI=1S/C23H24N4O2/c28-22-7-4-12-26(22)15-19-8-10-21(11-9-19)23(29)24-13-20-14-25-27(17-20)16-18-5-2-1-3-6-18/h1-3,5-6,8-11,14,17H,4,7,12-13,15-16H2,(H,24,29)
InChIKeyZDGOXAUPIZLOIS-UHFFFAOYSA-N
MW388.47 g/mol
LogP2.98
Rot. Bonds7

About N-[(1-benzylpyrazol-4-yl)methyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide

N-[(1-benzylpyrazol-4-yl)methyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide (PubChem CID 86990134) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-[(1-benzylpyrazol-4-yl)methyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[(1-benzylpyrazol-4-yl)methyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
PubChem CID86990134
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC NameN-[(1-benzylpyrazol-4-yl)methyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
SMILESO=C(NCc1cnn(Cc2ccccc2)c1)c1ccc(CN2CCCC2=O)cc1
InChIInChI=1S/C23H24N4O2/c28-22-7-4-12-26(22)15-19-8-10-21(11-9-19)23(29)24-13-20-14-25-27(17-20)16-18-5-2-1-3-6-18/h1-3,5-6,8-11,14,17H,4,7,12-13,15-16H2,(H,24,29)
InChIKeyZDGOXAUPIZLOIS-UHFFFAOYSA-N
XLogP2.98
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide
CID 119285773
2-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]acetic acid
CID 119137095
4-morpholin-4-yl-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide
CID 46974678
4-(2-oxopyrrolidin-1-yl)-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 17442772
N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 55715224
3,4-dimethyl-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide
CID 96545359
4-[(2-oxopyrrolidin-1-yl)methyl]-N-propylbenzamide
CID 32745199
N-(2-benzamidoethyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 38231106
1-(4-chlorophenyl)-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide
CID 78888339
4-[[(1-benzylpyrazol-4-yl)methylamino]methyl]benzamide
CID 86809283
4-[(2-oxopyrrolidin-1-yl)methyl]-N-(4-phenoxybutyl)benzamide
CID 47013997
N'-benzyl-4-[(2-oxopyrrolidin-1-yl)methyl]-N'-phenylbenzohydrazide
CID 9206606

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpyrazol-4-yl)methyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The IUPAC name of N-[(1-benzylpyrazol-4-yl)methyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide (CID 86990134) is N-[(1-benzylpyrazol-4-yl)methyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide.
What is the SMILES notation for N-[(1-benzylpyrazol-4-yl)methyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The canonical SMILES for N-[(1-benzylpyrazol-4-yl)methyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide is O=C(NCc1cnn(Cc2ccccc2)c1)c1ccc(CN2CCCC2=O)cc1.
What is the InChIKey of N-[(1-benzylpyrazol-4-yl)methyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The InChIKey is ZDGOXAUPIZLOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c28-22-7-4-12-26(22)15-19-8-10-21(11-9-19)23(29)24-13-20-14-25-27(17-20)16-18-5-2-1-3-6-18/h1-3,5-6,8-11,14,17H,4,7,12-13,15-16H2,(H,24,29).
What are the key properties of N-[(1-benzylpyrazol-4-yl)methyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
N-[(1-benzylpyrazol-4-yl)methyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide has a molecular weight of 388.47 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpyrazol-4-yl)methyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide is sourced from PubChem (CID 86990134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).