methyl 2-(2-acetylhydrazinyl)-5-(4-methoxyphenyl)-1H-pyrrole-3-carboxylate

C15H17N3O4 — CID 42597309

IUPACmethyl 2-(2-acetylhydrazinyl)-5-(4-methoxyphenyl)-1H-pyrrole-3-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(OC)cc2)[nH]c1NNC(C)=O
InChIInChI=1S/C15H17N3O4/c1-9(19)17-18-14-12(15(20)22-3)8-13(16-14)10-4-6-11(21-2)7-5-10/h4-8,16,18H,1-3H3,(H,17,19)
InChIKeyMYXAZDCVFYZBMA-UHFFFAOYSA-N
MW303.32 g/mol
LogP1.94
Rot. Bonds5

About methyl 2-(2-acetylhydrazinyl)-5-(4-methoxyphenyl)-1H-pyrrole-3-carboxylate

methyl 2-(2-acetylhydrazinyl)-5-(4-methoxyphenyl)-1H-pyrrole-3-carboxylate (PubChem CID 42597309) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is methyl 2-(2-acetylhydrazinyl)-5-(4-methoxyphenyl)-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2-acetylhydrazinyl)-5-(4-methoxyphenyl)-1H-pyrrole-3-carboxylate
PubChem CID42597309
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC Namemethyl 2-(2-acetylhydrazinyl)-5-(4-methoxyphenyl)-1H-pyrrole-3-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(OC)cc2)[nH]c1NNC(C)=O
InChIInChI=1S/C15H17N3O4/c1-9(19)17-18-14-12(15(20)22-3)8-13(16-14)10-4-6-11(21-2)7-5-10/h4-8,16,18H,1-3H3,(H,17,19)
InChIKeyMYXAZDCVFYZBMA-UHFFFAOYSA-N
XLogP1.94
TPSA92.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 5-[[(4-methoxybenzoyl)amino]carbamoylamino]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 9459791
ethyl 2-(2-butanoylhydrazinyl)-5-(4-methoxyphenyl)-1H-pyrrole-3-carboxylate
CID 42597063
N'-[3-cyano-5-(4-methoxyphenyl)-1H-pyrrol-2-yl]acetohydrazide
CID 42597067
ethyl 5-(4-methoxyphenyl)-2-[2-(3-methoxypropanoyl)hydrazinyl]-1H-pyrrole-3-carboxylate
CID 42600455
1H-Pyrrole-1-propanoic acid, 3-(ethoxycarbonyl)-5-(4-methoxyphenyl)-2-methyl-, hydrazide
CID 11559267
Ethyl 1-(2-hydrazino-2-oxo-ethyl)-5-(4-methoxyphenyl)-2-methyl-pyrrole-3-carboxylate
CID 11688535
ethyl 2-(2-acetylhydrazinyl)-5-phenyl-1H-pyrrole-3-carboxylate
CID 14144334
ethyl 2-(2-acetylhydrazinyl)-5-(4-methylphenyl)-1H-pyrrole-3-carboxylate
CID 14144335
ethyl 2-(2-acetylhydrazinyl)-5-(4-methoxyphenyl)-1H-pyrrole-3-carboxylate
CID 14144337
ethyl 2-(2-acetylhydrazinyl)-5-(4-chlorophenyl)-1H-pyrrole-3-carboxylate
CID 14144343
ethyl 2-(2-ethoxycarbonylhydrazinyl)-5-phenyl-1H-pyrrole-3-carboxylate
CID 14144347
ethyl 2-(2-ethoxycarbonylhydrazinyl)-5-(4-methylphenyl)-1H-pyrrole-3-carboxylate
CID 14144348

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-acetylhydrazinyl)-5-(4-methoxyphenyl)-1H-pyrrole-3-carboxylate?
The IUPAC name of methyl 2-(2-acetylhydrazinyl)-5-(4-methoxyphenyl)-1H-pyrrole-3-carboxylate (CID 42597309) is methyl 2-(2-acetylhydrazinyl)-5-(4-methoxyphenyl)-1H-pyrrole-3-carboxylate.
What is the SMILES notation for methyl 2-(2-acetylhydrazinyl)-5-(4-methoxyphenyl)-1H-pyrrole-3-carboxylate?
The canonical SMILES for methyl 2-(2-acetylhydrazinyl)-5-(4-methoxyphenyl)-1H-pyrrole-3-carboxylate is COC(=O)c1cc(-c2ccc(OC)cc2)[nH]c1NNC(C)=O.
What is the InChIKey of methyl 2-(2-acetylhydrazinyl)-5-(4-methoxyphenyl)-1H-pyrrole-3-carboxylate?
The InChIKey is MYXAZDCVFYZBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4/c1-9(19)17-18-14-12(15(20)22-3)8-13(16-14)10-4-6-11(21-2)7-5-10/h4-8,16,18H,1-3H3,(H,17,19).
What are the key properties of methyl 2-(2-acetylhydrazinyl)-5-(4-methoxyphenyl)-1H-pyrrole-3-carboxylate?
methyl 2-(2-acetylhydrazinyl)-5-(4-methoxyphenyl)-1H-pyrrole-3-carboxylate has a molecular weight of 303.32 g/mol, XLogP of 1.94, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-acetylhydrazinyl)-5-(4-methoxyphenyl)-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 42597309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).