N'-(2,5-dimethylfuran-3-carbonyl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carbohydrazide

C17H23N3O3 — CID 9468163

IUPACN'-(2,5-dimethylfuran-3-carbonyl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)c2cc(C)n(C(C)C)c2C)c(C)o1
InChIInChI=1S/C17H23N3O3/c1-9(2)20-10(3)7-14(12(20)5)16(21)18-19-17(22)15-8-11(4)23-13(15)6/h7-9H,1-6H3,(H,18,21)(H,19,22)
InChIKeySQINMANGHZIMIM-UHFFFAOYSA-N
MW317.39 g/mol
LogP2.97
Rot. Bonds3

About N'-(2,5-dimethylfuran-3-carbonyl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carbohydrazide

N'-(2,5-dimethylfuran-3-carbonyl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carbohydrazide (PubChem CID 9468163) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is N'-(2,5-dimethylfuran-3-carbonyl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carbohydrazide.

Molecular Properties

Compound NameN'-(2,5-dimethylfuran-3-carbonyl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carbohydrazide
PubChem CID9468163
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC NameN'-(2,5-dimethylfuran-3-carbonyl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)c2cc(C)n(C(C)C)c2C)c(C)o1
InChIInChI=1S/C17H23N3O3/c1-9(2)20-10(3)7-14(12(20)5)16(21)18-19-17(22)15-8-11(4)23-13(15)6/h7-9H,1-6H3,(H,18,21)(H,19,22)
InChIKeySQINMANGHZIMIM-UHFFFAOYSA-N
XLogP2.97
TPSA76.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,5-dimethyl-N'-(4-methylbenzoyl)-1-propan-2-ylpyrrole-3-carbohydrazide
CID 9476103
N'-(2-bromobenzoyl)-2,5-dimethylfuran-3-carbohydrazide
CID 2715708
2,5-dimethyl-N'-(2-methylbenzoyl)furan-3-carbohydrazide
CID 7808967
N'-benzoyl-2,5-dimethylfuran-3-carbohydrazide
CID 4808565
(2R)-2-[(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)amino]-3-methylbutanoic acid
CID 119369450
2,5-dimethyl-N-(3-methylbutan-2-yl)furan-3-carboxamide
CID 18712127
N'-(3,5-difluorobenzoyl)-2,5-dimethylfuran-3-carbohydrazide
CID 4808606
N'-(2-methoxyacetyl)-2,5-dimethylfuran-3-carbohydrazide
CID 47102396
3-[(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)amino]-2-methylpropanoic acid
CID 119237626
N'-(4-bromobenzoyl)-2,5-dimethylfuran-3-carbohydrazide
CID 2715709
N-(2-carbamoylphenyl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
CID 110698947
N-(3-amino-2-methylpropyl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
CID 119997726

Frequently Asked Questions

What is the IUPAC name of N'-(2,5-dimethylfuran-3-carbonyl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carbohydrazide?
The IUPAC name of N'-(2,5-dimethylfuran-3-carbonyl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carbohydrazide (CID 9468163) is N'-(2,5-dimethylfuran-3-carbonyl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carbohydrazide.
What is the SMILES notation for N'-(2,5-dimethylfuran-3-carbonyl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carbohydrazide?
The canonical SMILES for N'-(2,5-dimethylfuran-3-carbonyl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carbohydrazide is Cc1cc(C(=O)NNC(=O)c2cc(C)n(C(C)C)c2C)c(C)o1.
What is the InChIKey of N'-(2,5-dimethylfuran-3-carbonyl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carbohydrazide?
The InChIKey is SQINMANGHZIMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-9(2)20-10(3)7-14(12(20)5)16(21)18-19-17(22)15-8-11(4)23-13(15)6/h7-9H,1-6H3,(H,18,21)(H,19,22).
What are the key properties of N'-(2,5-dimethylfuran-3-carbonyl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carbohydrazide?
N'-(2,5-dimethylfuran-3-carbonyl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carbohydrazide has a molecular weight of 317.39 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,5-dimethylfuran-3-carbonyl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carbohydrazide is sourced from PubChem (CID 9468163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).