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

C16H19N3O4 — CID 42597310

IUPACmethyl 5-(4-methoxyphenyl)-2-(2-propanoylhydrazinyl)-1H-pyrrole-3-carboxylate
SMILESCCC(=O)NNc1[nH]c(-c2ccc(OC)cc2)cc1C(=O)OC
InChIInChI=1S/C16H19N3O4/c1-4-14(20)18-19-15-12(16(21)23-3)9-13(17-15)10-5-7-11(22-2)8-6-10/h5-9,17,19H,4H2,1-3H3,(H,18,20)
InChIKeyLBPDAXSONNWJIZ-UHFFFAOYSA-N
MW317.35 g/mol
LogP2.33
Rot. Bonds6

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

methyl 5-(4-methoxyphenyl)-2-(2-propanoylhydrazinyl)-1H-pyrrole-3-carboxylate (PubChem CID 42597310) has the molecular formula C16H19N3O4 and a molecular weight of 317.35 g/mol. Its IUPAC name is methyl 5-(4-methoxyphenyl)-2-(2-propanoylhydrazinyl)-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-(4-methoxyphenyl)-2-(2-propanoylhydrazinyl)-1H-pyrrole-3-carboxylate
PubChem CID42597310
Molecular FormulaC16H19N3O4
Molecular Weight317.35 g/mol
Exact Mass317.14
IUPAC Namemethyl 5-(4-methoxyphenyl)-2-(2-propanoylhydrazinyl)-1H-pyrrole-3-carboxylate
SMILESCCC(=O)NNc1[nH]c(-c2ccc(OC)cc2)cc1C(=O)OC
InChIInChI=1S/C16H19N3O4/c1-4-14(20)18-19-15-12(16(21)23-3)9-13(17-15)10-5-7-11(22-2)8-6-10/h5-9,17,19H,4H2,1-3H3,(H,18,20)
InChIKeyLBPDAXSONNWJIZ-UHFFFAOYSA-N
XLogP2.33
TPSA92.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 5-(4-methoxyphenyl)-2-(2-propanoylhydrazinyl)-1H-pyrrole-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-ethoxycarbonylhydrazinyl)-5-phenyl-1H-pyrrole-3-carboxylate
CID 14144347
ethyl 2-(2-ethoxycarbonylhydrazinyl)-5-(4-methylphenyl)-1H-pyrrole-3-carboxylate
CID 14144348
ethyl 2-(2-ethoxycarbonylhydrazinyl)-5-(4-methoxyphenyl)-1H-pyrrole-3-carboxylate
CID 14144350

Frequently Asked Questions

What is the IUPAC name of methyl 5-(4-methoxyphenyl)-2-(2-propanoylhydrazinyl)-1H-pyrrole-3-carboxylate?
The IUPAC name of methyl 5-(4-methoxyphenyl)-2-(2-propanoylhydrazinyl)-1H-pyrrole-3-carboxylate (CID 42597310) is methyl 5-(4-methoxyphenyl)-2-(2-propanoylhydrazinyl)-1H-pyrrole-3-carboxylate.
What is the SMILES notation for methyl 5-(4-methoxyphenyl)-2-(2-propanoylhydrazinyl)-1H-pyrrole-3-carboxylate?
The canonical SMILES for methyl 5-(4-methoxyphenyl)-2-(2-propanoylhydrazinyl)-1H-pyrrole-3-carboxylate is CCC(=O)NNc1[nH]c(-c2ccc(OC)cc2)cc1C(=O)OC.
What is the InChIKey of methyl 5-(4-methoxyphenyl)-2-(2-propanoylhydrazinyl)-1H-pyrrole-3-carboxylate?
The InChIKey is LBPDAXSONNWJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4/c1-4-14(20)18-19-15-12(16(21)23-3)9-13(17-15)10-5-7-11(22-2)8-6-10/h5-9,17,19H,4H2,1-3H3,(H,18,20).
What are the key properties of methyl 5-(4-methoxyphenyl)-2-(2-propanoylhydrazinyl)-1H-pyrrole-3-carboxylate?
methyl 5-(4-methoxyphenyl)-2-(2-propanoylhydrazinyl)-1H-pyrrole-3-carboxylate has a molecular weight of 317.35 g/mol, XLogP of 2.33, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(4-methoxyphenyl)-2-(2-propanoylhydrazinyl)-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 42597310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).