2,5-dimethyl-1-phenyl-N'-(3-phenylpropanoyl)pyrrole-3-carbohydrazide

C22H23N3O2 — CID 40714000

IUPAC2,5-dimethyl-1-phenyl-N'-(3-phenylpropanoyl)pyrrole-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)CCc2ccccc2)c(C)n1-c1ccccc1
InChIInChI=1S/C22H23N3O2/c1-16-15-20(17(2)25(16)19-11-7-4-8-12-19)22(27)24-23-21(26)14-13-18-9-5-3-6-10-18/h3-12,15H,13-14H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyYIKGPIBOFQRLMQ-UHFFFAOYSA-N
MW361.44 g/mol
LogP3.49
Rot. Bonds5

About 2,5-dimethyl-1-phenyl-N'-(3-phenylpropanoyl)pyrrole-3-carbohydrazide

2,5-dimethyl-1-phenyl-N'-(3-phenylpropanoyl)pyrrole-3-carbohydrazide (PubChem CID 40714000) has the molecular formula C22H23N3O2 and a molecular weight of 361.44 g/mol. Its IUPAC name is 2,5-dimethyl-1-phenyl-N'-(3-phenylpropanoyl)pyrrole-3-carbohydrazide.

Molecular Properties

Compound Name2,5-dimethyl-1-phenyl-N'-(3-phenylpropanoyl)pyrrole-3-carbohydrazide
PubChem CID40714000
Molecular FormulaC22H23N3O2
Molecular Weight361.44 g/mol
Exact Mass361.18
IUPAC Name2,5-dimethyl-1-phenyl-N'-(3-phenylpropanoyl)pyrrole-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)CCc2ccccc2)c(C)n1-c1ccccc1
InChIInChI=1S/C22H23N3O2/c1-16-15-20(17(2)25(16)19-11-7-4-8-12-19)22(27)24-23-21(26)14-13-18-9-5-3-6-10-18/h3-12,15H,13-14H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyYIKGPIBOFQRLMQ-UHFFFAOYSA-N
XLogP3.49
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[3-(4-cyanophenyl)propanoyl]-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide
CID 41388627
N'-[3-(3,4-difluorophenyl)propanoyl]-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide
CID 55616762
2,5-dimethyl-N'-(4-phenoxybutanoyl)-1-phenylpyrrole-3-carbohydrazide
CID 40713988
2,5-dimethyl-N'-[4-(3-methyl-1,2,4-oxadiazol-5-yl)butanoyl]-1-phenylpyrrole-3-carbohydrazide
CID 55712838
N'-(3-indol-1-ylpropanoyl)-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide
CID 27683785
2,5-dimethyl-1-phenyl-N-phenylmethoxypyrrole-3-carboxamide
CID 32577143
4-[[(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)amino]carbamoyl]benzamide
CID 27683580
N'-(2-ethoxybenzoyl)-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide
CID 27683540
1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(3-phenylpropylamino)ethanone
CID 110654758
[2-oxo-2-(3-phenylpropylamino)ethyl] 2,5-dimethyl-1-phenylpyrrole-3-carboxylate
CID 2091356
N-[2-[2-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide
CID 2437967
N'-(3,4-difluorobenzoyl)-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide
CID 40673432

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-phenyl-N'-(3-phenylpropanoyl)pyrrole-3-carbohydrazide?
The IUPAC name of 2,5-dimethyl-1-phenyl-N'-(3-phenylpropanoyl)pyrrole-3-carbohydrazide (CID 40714000) is 2,5-dimethyl-1-phenyl-N'-(3-phenylpropanoyl)pyrrole-3-carbohydrazide.
What is the SMILES notation for 2,5-dimethyl-1-phenyl-N'-(3-phenylpropanoyl)pyrrole-3-carbohydrazide?
The canonical SMILES for 2,5-dimethyl-1-phenyl-N'-(3-phenylpropanoyl)pyrrole-3-carbohydrazide is Cc1cc(C(=O)NNC(=O)CCc2ccccc2)c(C)n1-c1ccccc1.
What is the InChIKey of 2,5-dimethyl-1-phenyl-N'-(3-phenylpropanoyl)pyrrole-3-carbohydrazide?
The InChIKey is YIKGPIBOFQRLMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-16-15-20(17(2)25(16)19-11-7-4-8-12-19)22(27)24-23-21(26)14-13-18-9-5-3-6-10-18/h3-12,15H,13-14H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of 2,5-dimethyl-1-phenyl-N'-(3-phenylpropanoyl)pyrrole-3-carbohydrazide?
2,5-dimethyl-1-phenyl-N'-(3-phenylpropanoyl)pyrrole-3-carbohydrazide has a molecular weight of 361.44 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-phenyl-N'-(3-phenylpropanoyl)pyrrole-3-carbohydrazide is sourced from PubChem (CID 40714000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).