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

C16H19N3O5 — CID 42600712

IUPACmethyl 2-(2-ethoxycarbonylhydrazinyl)-5-(4-methoxyphenyl)-1H-pyrrole-3-carboxylate
SMILESCCOC(=O)NNc1[nH]c(-c2ccc(OC)cc2)cc1C(=O)OC
InChIInChI=1S/C16H19N3O5/c1-4-24-16(21)19-18-14-12(15(20)23-3)9-13(17-14)10-5-7-11(22-2)8-6-10/h5-9,17-18H,4H2,1-3H3,(H,19,21)
InChIKeyPWKRISZPJOHKMM-UHFFFAOYSA-N
MW333.34 g/mol
LogP2.55
Rot. Bonds6

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

methyl 2-(2-ethoxycarbonylhydrazinyl)-5-(4-methoxyphenyl)-1H-pyrrole-3-carboxylate (PubChem CID 42600712) has the molecular formula C16H19N3O5 and a molecular weight of 333.34 g/mol. Its IUPAC name is methyl 2-(2-ethoxycarbonylhydrazinyl)-5-(4-methoxyphenyl)-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2-ethoxycarbonylhydrazinyl)-5-(4-methoxyphenyl)-1H-pyrrole-3-carboxylate
PubChem CID42600712
Molecular FormulaC16H19N3O5
Molecular Weight333.34 g/mol
Exact Mass333.13
IUPAC Namemethyl 2-(2-ethoxycarbonylhydrazinyl)-5-(4-methoxyphenyl)-1H-pyrrole-3-carboxylate
SMILESCCOC(=O)NNc1[nH]c(-c2ccc(OC)cc2)cc1C(=O)OC
InChIInChI=1S/C16H19N3O5/c1-4-24-16(21)19-18-14-12(15(20)23-3)9-13(17-14)10-5-7-11(22-2)8-6-10/h5-9,17-18H,4H2,1-3H3,(H,19,21)
InChIKeyPWKRISZPJOHKMM-UHFFFAOYSA-N
XLogP2.55
TPSA101.68 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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
ethyl 5-(4-methoxyphenyl)-2-[2-(3-methoxypropanoyl)hydrazinyl]-1H-pyrrole-3-carboxylate
CID 42600455
ethyl N-[[3-cyano-5-(4-methoxyphenyl)-1H-pyrrol-2-yl]amino]carbamate
CID 42600459
1H-Pyrrole-1-propanoic acid, 3-(ethoxycarbonyl)-5-(4-methoxyphenyl)-2-methyl-, hydrazide
CID 11559267
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
ethyl 5-(4-chlorophenyl)-2-(2-ethoxycarbonylhydrazinyl)-1H-pyrrole-3-carboxylate
CID 14144356

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-ethoxycarbonylhydrazinyl)-5-(4-methoxyphenyl)-1H-pyrrole-3-carboxylate?
The IUPAC name of methyl 2-(2-ethoxycarbonylhydrazinyl)-5-(4-methoxyphenyl)-1H-pyrrole-3-carboxylate (CID 42600712) is methyl 2-(2-ethoxycarbonylhydrazinyl)-5-(4-methoxyphenyl)-1H-pyrrole-3-carboxylate.
What is the SMILES notation for methyl 2-(2-ethoxycarbonylhydrazinyl)-5-(4-methoxyphenyl)-1H-pyrrole-3-carboxylate?
The canonical SMILES for methyl 2-(2-ethoxycarbonylhydrazinyl)-5-(4-methoxyphenyl)-1H-pyrrole-3-carboxylate is CCOC(=O)NNc1[nH]c(-c2ccc(OC)cc2)cc1C(=O)OC.
What is the InChIKey of methyl 2-(2-ethoxycarbonylhydrazinyl)-5-(4-methoxyphenyl)-1H-pyrrole-3-carboxylate?
The InChIKey is PWKRISZPJOHKMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O5/c1-4-24-16(21)19-18-14-12(15(20)23-3)9-13(17-14)10-5-7-11(22-2)8-6-10/h5-9,17-18H,4H2,1-3H3,(H,19,21).
What are the key properties of methyl 2-(2-ethoxycarbonylhydrazinyl)-5-(4-methoxyphenyl)-1H-pyrrole-3-carboxylate?
methyl 2-(2-ethoxycarbonylhydrazinyl)-5-(4-methoxyphenyl)-1H-pyrrole-3-carboxylate has a molecular weight of 333.34 g/mol, XLogP of 2.55, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-ethoxycarbonylhydrazinyl)-5-(4-methoxyphenyl)-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 42600712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).