2,5-dimethyl-N'-(4-methylbenzoyl)-1-propan-2-ylpyrrole-3-carbohydrazide

C18H23N3O2 — CID 9476103

IUPAC2,5-dimethyl-N'-(4-methylbenzoyl)-1-propan-2-ylpyrrole-3-carbohydrazide
SMILESCc1ccc(C(=O)NNC(=O)c2cc(C)n(C(C)C)c2C)cc1
InChIInChI=1S/C18H23N3O2/c1-11(2)21-13(4)10-16(14(21)5)18(23)20-19-17(22)15-8-6-12(3)7-9-15/h6-11H,1-5H3,(H,19,22)(H,20,23)
InChIKeyXNINRRFOZICHQG-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.07
Rot. Bonds3

About 2,5-dimethyl-N'-(4-methylbenzoyl)-1-propan-2-ylpyrrole-3-carbohydrazide

2,5-dimethyl-N'-(4-methylbenzoyl)-1-propan-2-ylpyrrole-3-carbohydrazide (PubChem CID 9476103) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 2,5-dimethyl-N'-(4-methylbenzoyl)-1-propan-2-ylpyrrole-3-carbohydrazide.

Molecular Properties

Compound Name2,5-dimethyl-N'-(4-methylbenzoyl)-1-propan-2-ylpyrrole-3-carbohydrazide
PubChem CID9476103
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name2,5-dimethyl-N'-(4-methylbenzoyl)-1-propan-2-ylpyrrole-3-carbohydrazide
SMILESCc1ccc(C(=O)NNC(=O)c2cc(C)n(C(C)C)c2C)cc1
InChIInChI=1S/C18H23N3O2/c1-11(2)21-13(4)10-16(14(21)5)18(23)20-19-17(22)15-8-6-12(3)7-9-15/h6-11H,1-5H3,(H,19,22)(H,20,23)
InChIKeyXNINRRFOZICHQG-UHFFFAOYSA-N
XLogP3.07
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(2,5-dimethylfuran-3-carbonyl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carbohydrazide
CID 9468163
N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
CID 8884375
N-(2-carbamoylphenyl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
CID 110698947
N'-[2-(2-fluorophenoxy)acetyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carbohydrazide
CID 9471920
(2R)-2-[(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)amino]-3-methylbutanoic acid
CID 119369450
3-[(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)amino]-2-methylpropanoic acid
CID 119237626
N-(4-bromo-3-methylphenyl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
CID 9095989
N-(3-amino-2-methylpropyl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
CID 119997726
N-(2,2-diphenylpropyl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
CID 18208847
N-[[2-(hydroxymethyl)phenyl]methyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
CID 110909012
methyl 4-[[(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)amino]carbamoyl]benzoate
CID 40714036
N-(3-methoxypropyl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
CID 110698914

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N'-(4-methylbenzoyl)-1-propan-2-ylpyrrole-3-carbohydrazide?
The IUPAC name of 2,5-dimethyl-N'-(4-methylbenzoyl)-1-propan-2-ylpyrrole-3-carbohydrazide (CID 9476103) is 2,5-dimethyl-N'-(4-methylbenzoyl)-1-propan-2-ylpyrrole-3-carbohydrazide.
What is the SMILES notation for 2,5-dimethyl-N'-(4-methylbenzoyl)-1-propan-2-ylpyrrole-3-carbohydrazide?
The canonical SMILES for 2,5-dimethyl-N'-(4-methylbenzoyl)-1-propan-2-ylpyrrole-3-carbohydrazide is Cc1ccc(C(=O)NNC(=O)c2cc(C)n(C(C)C)c2C)cc1.
What is the InChIKey of 2,5-dimethyl-N'-(4-methylbenzoyl)-1-propan-2-ylpyrrole-3-carbohydrazide?
The InChIKey is XNINRRFOZICHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-11(2)21-13(4)10-16(14(21)5)18(23)20-19-17(22)15-8-6-12(3)7-9-15/h6-11H,1-5H3,(H,19,22)(H,20,23).
What are the key properties of 2,5-dimethyl-N'-(4-methylbenzoyl)-1-propan-2-ylpyrrole-3-carbohydrazide?
2,5-dimethyl-N'-(4-methylbenzoyl)-1-propan-2-ylpyrrole-3-carbohydrazide has a molecular weight of 313.40 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N'-(4-methylbenzoyl)-1-propan-2-ylpyrrole-3-carbohydrazide is sourced from PubChem (CID 9476103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).