1-methyl-N'-(2-methylbenzoyl)pyrrole-2-carbohydrazide

C14H15N3O2 — CID 24982816

IUPAC1-methyl-N'-(2-methylbenzoyl)pyrrole-2-carbohydrazide
SMILESCc1ccccc1C(=O)NNC(=O)c1cccn1C
InChIInChI=1S/C14H15N3O2/c1-10-6-3-4-7-11(10)13(18)15-16-14(19)12-8-5-9-17(12)2/h3-9H,1-2H3,(H,15,18)(H,16,19)
InChIKeyYLOTYFPIKZESBG-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.41
Rot. Bonds2

About 1-methyl-N'-(2-methylbenzoyl)pyrrole-2-carbohydrazide

1-methyl-N'-(2-methylbenzoyl)pyrrole-2-carbohydrazide (PubChem CID 24982816) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 1-methyl-N'-(2-methylbenzoyl)pyrrole-2-carbohydrazide.

Molecular Properties

Compound Name1-methyl-N'-(2-methylbenzoyl)pyrrole-2-carbohydrazide
PubChem CID24982816
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name1-methyl-N'-(2-methylbenzoyl)pyrrole-2-carbohydrazide
SMILESCc1ccccc1C(=O)NNC(=O)c1cccn1C
InChIInChI=1S/C14H15N3O2/c1-10-6-3-4-7-11(10)13(18)15-16-14(19)12-8-5-9-17(12)2/h3-9H,1-2H3,(H,15,18)(H,16,19)
InChIKeyYLOTYFPIKZESBG-UHFFFAOYSA-N
XLogP1.41
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.41
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 1-methyl-N'-(2-methylbenzoyl)pyrrole-2-carbohydrazide?
The IUPAC name of 1-methyl-N'-(2-methylbenzoyl)pyrrole-2-carbohydrazide (CID 24982816) is 1-methyl-N'-(2-methylbenzoyl)pyrrole-2-carbohydrazide.
What is the SMILES notation for 1-methyl-N'-(2-methylbenzoyl)pyrrole-2-carbohydrazide?
The canonical SMILES for 1-methyl-N'-(2-methylbenzoyl)pyrrole-2-carbohydrazide is Cc1ccccc1C(=O)NNC(=O)c1cccn1C.
What is the InChIKey of 1-methyl-N'-(2-methylbenzoyl)pyrrole-2-carbohydrazide?
The InChIKey is YLOTYFPIKZESBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-10-6-3-4-7-11(10)13(18)15-16-14(19)12-8-5-9-17(12)2/h3-9H,1-2H3,(H,15,18)(H,16,19).
What are the key properties of 1-methyl-N'-(2-methylbenzoyl)pyrrole-2-carbohydrazide?
1-methyl-N'-(2-methylbenzoyl)pyrrole-2-carbohydrazide has a molecular weight of 257.29 g/mol, XLogP of 1.41, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N'-(2-methylbenzoyl)pyrrole-2-carbohydrazide is sourced from PubChem (CID 24982816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).