N-[(E)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide

C17H19N5O2 — CID 17047876

IUPACN-[(E)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESCc1nn(C)cc1/C=N/NC(=O)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C17H19N5O2/c1-12-14(11-21(2)20-12)10-18-19-17(24)13-5-3-6-15(9-13)22-8-4-7-16(22)23/h3,5-6,9-11H,4,7-8H2,1-2H3,(H,19,24)/b18-10+
InChIKeyALFXWBPDIYKRDL-VCHYOVAHSA-N
MW325.37 g/mol
LogP1.62
Rot. Bonds4

About N-[(E)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide

N-[(E)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 17047876) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-[(E)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[(E)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID17047876
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC NameN-[(E)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESCc1nn(C)cc1/C=N/NC(=O)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C17H19N5O2/c1-12-14(11-21(2)20-12)10-18-19-17(24)13-5-3-6-15(9-13)22-8-4-7-16(22)23/h3,5-6,9-11H,4,7-8H2,1-2H3,(H,19,24)/b18-10+
InChIKeyALFXWBPDIYKRDL-VCHYOVAHSA-N
XLogP1.62
TPSA79.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 135401367
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N-[(E)-(4-nitrophenyl)methylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 6894458
N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 135421588
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CID 5331393
3-hydroxy-N-[(Z)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]benzamide
CID 8860986
N-[(E)-[5-[(2-chloro-6-methylphenoxy)methyl]furan-2-yl]methylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 17132428
N-(1-methyl-2,3-dihydroindol-6-yl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 155946788
4-hydroxy-N-[(Z)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]benzamide
CID 8826078
N-(5-methyl-2-pyridinyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 51250769
3-(2-oxopiperidin-1-yl)benzoic acid
CID 24689039
3-(2-oxopyrrolidin-1-yl)-N-propan-2-yloxybenzamide
CID 91545272

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[(E)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide (CID 17047876) is N-[(E)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[(E)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[(E)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide is Cc1nn(C)cc1/C=N/NC(=O)c1cccc(N2CCCC2=O)c1.
What is the InChIKey of N-[(E)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is ALFXWBPDIYKRDL-VCHYOVAHSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-12-14(11-21(2)20-12)10-18-19-17(24)13-5-3-6-15(9-13)22-8-4-7-16(22)23/h3,5-6,9-11H,4,7-8H2,1-2H3,(H,19,24)/b18-10+.
What are the key properties of N-[(E)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide?
N-[(E)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 325.37 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 17047876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).