N'-(3,5-dimethylbenzoyl)-1-methylpyrrole-2-carbohydrazide

C15H17N3O2 — CID 17426087

IUPACN'-(3,5-dimethylbenzoyl)-1-methylpyrrole-2-carbohydrazide
SMILESCc1cc(C)cc(C(=O)NNC(=O)c2cccn2C)c1
InChIInChI=1S/C15H17N3O2/c1-10-7-11(2)9-12(8-10)14(19)16-17-15(20)13-5-4-6-18(13)3/h4-9H,1-3H3,(H,16,19)(H,17,20)
InChIKeyHVNJODUHDWVQAZ-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.72
Rot. Bonds2

About N'-(3,5-dimethylbenzoyl)-1-methylpyrrole-2-carbohydrazide

N'-(3,5-dimethylbenzoyl)-1-methylpyrrole-2-carbohydrazide (PubChem CID 17426087) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is N'-(3,5-dimethylbenzoyl)-1-methylpyrrole-2-carbohydrazide.

Molecular Properties

Compound NameN'-(3,5-dimethylbenzoyl)-1-methylpyrrole-2-carbohydrazide
PubChem CID17426087
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC NameN'-(3,5-dimethylbenzoyl)-1-methylpyrrole-2-carbohydrazide
SMILESCc1cc(C)cc(C(=O)NNC(=O)c2cccn2C)c1
InChIInChI=1S/C15H17N3O2/c1-10-7-11(2)9-12(8-10)14(19)16-17-15(20)13-5-4-6-18(13)3/h4-9H,1-3H3,(H,16,19)(H,17,20)
InChIKeyHVNJODUHDWVQAZ-UHFFFAOYSA-N
XLogP1.72
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.72
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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Frequently Asked Questions

What is the IUPAC name of N'-(3,5-dimethylbenzoyl)-1-methylpyrrole-2-carbohydrazide?
The IUPAC name of N'-(3,5-dimethylbenzoyl)-1-methylpyrrole-2-carbohydrazide (CID 17426087) is N'-(3,5-dimethylbenzoyl)-1-methylpyrrole-2-carbohydrazide.
What is the SMILES notation for N'-(3,5-dimethylbenzoyl)-1-methylpyrrole-2-carbohydrazide?
The canonical SMILES for N'-(3,5-dimethylbenzoyl)-1-methylpyrrole-2-carbohydrazide is Cc1cc(C)cc(C(=O)NNC(=O)c2cccn2C)c1.
What is the InChIKey of N'-(3,5-dimethylbenzoyl)-1-methylpyrrole-2-carbohydrazide?
The InChIKey is HVNJODUHDWVQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-10-7-11(2)9-12(8-10)14(19)16-17-15(20)13-5-4-6-18(13)3/h4-9H,1-3H3,(H,16,19)(H,17,20).
What are the key properties of N'-(3,5-dimethylbenzoyl)-1-methylpyrrole-2-carbohydrazide?
N'-(3,5-dimethylbenzoyl)-1-methylpyrrole-2-carbohydrazide has a molecular weight of 271.32 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,5-dimethylbenzoyl)-1-methylpyrrole-2-carbohydrazide is sourced from PubChem (CID 17426087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).