1-methyl-N'-(3,4,5-trimethoxybenzoyl)pyrrole-2-carbohydrazide

C16H19N3O5 — CID 24982320

IUPAC1-methyl-N'-(3,4,5-trimethoxybenzoyl)pyrrole-2-carbohydrazide
SMILESCOc1cc(C(=O)NNC(=O)c2cccn2C)cc(OC)c1OC
InChIInChI=1S/C16H19N3O5/c1-19-7-5-6-11(19)16(21)18-17-15(20)10-8-12(22-2)14(24-4)13(9-10)23-3/h5-9H,1-4H3,(H,17,20)(H,18,21)
InChIKeyMRWFMOJNBUGUQQ-UHFFFAOYSA-N
MW333.34 g/mol
LogP1.13
Rot. Bonds5

About 1-methyl-N'-(3,4,5-trimethoxybenzoyl)pyrrole-2-carbohydrazide

1-methyl-N'-(3,4,5-trimethoxybenzoyl)pyrrole-2-carbohydrazide (PubChem CID 24982320) has the molecular formula C16H19N3O5 and a molecular weight of 333.34 g/mol. Its IUPAC name is 1-methyl-N'-(3,4,5-trimethoxybenzoyl)pyrrole-2-carbohydrazide.

Molecular Properties

Compound Name1-methyl-N'-(3,4,5-trimethoxybenzoyl)pyrrole-2-carbohydrazide
PubChem CID24982320
Molecular FormulaC16H19N3O5
Molecular Weight333.34 g/mol
Exact Mass333.13
IUPAC Name1-methyl-N'-(3,4,5-trimethoxybenzoyl)pyrrole-2-carbohydrazide
SMILESCOc1cc(C(=O)NNC(=O)c2cccn2C)cc(OC)c1OC
InChIInChI=1S/C16H19N3O5/c1-19-7-5-6-11(19)16(21)18-17-15(20)10-8-12(22-2)14(24-4)13(9-10)23-3/h5-9H,1-4H3,(H,17,20)(H,18,21)
InChIKeyMRWFMOJNBUGUQQ-UHFFFAOYSA-N
XLogP1.13
TPSA90.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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'-(3,4,5-trimethoxybenzoyl)pyrrole-2-carbohydrazide?
The IUPAC name of 1-methyl-N'-(3,4,5-trimethoxybenzoyl)pyrrole-2-carbohydrazide (CID 24982320) is 1-methyl-N'-(3,4,5-trimethoxybenzoyl)pyrrole-2-carbohydrazide.
What is the SMILES notation for 1-methyl-N'-(3,4,5-trimethoxybenzoyl)pyrrole-2-carbohydrazide?
The canonical SMILES for 1-methyl-N'-(3,4,5-trimethoxybenzoyl)pyrrole-2-carbohydrazide is COc1cc(C(=O)NNC(=O)c2cccn2C)cc(OC)c1OC.
What is the InChIKey of 1-methyl-N'-(3,4,5-trimethoxybenzoyl)pyrrole-2-carbohydrazide?
The InChIKey is MRWFMOJNBUGUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O5/c1-19-7-5-6-11(19)16(21)18-17-15(20)10-8-12(22-2)14(24-4)13(9-10)23-3/h5-9H,1-4H3,(H,17,20)(H,18,21).
What are the key properties of 1-methyl-N'-(3,4,5-trimethoxybenzoyl)pyrrole-2-carbohydrazide?
1-methyl-N'-(3,4,5-trimethoxybenzoyl)pyrrole-2-carbohydrazide has a molecular weight of 333.34 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N'-(3,4,5-trimethoxybenzoyl)pyrrole-2-carbohydrazide is sourced from PubChem (CID 24982320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).