1-ethyl-5-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide

C15H18N2O2 — CID 68561015

IUPAC1-ethyl-5-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide
SMILESCCn1c(-c2ccc(OC)cc2)cc(C(N)=O)c1C
InChIInChI=1S/C15H18N2O2/c1-4-17-10(2)13(15(16)18)9-14(17)11-5-7-12(19-3)8-6-11/h5-9H,4H2,1-3H3,(H2,16,18)
InChIKeyOSLLQMSCPVOQGZ-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.59
Rot. Bonds4

About 1-ethyl-5-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide

1-ethyl-5-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide (PubChem CID 68561015) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-ethyl-5-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-5-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide
PubChem CID68561015
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name1-ethyl-5-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide
SMILESCCn1c(-c2ccc(OC)cc2)cc(C(N)=O)c1C
InChIInChI=1S/C15H18N2O2/c1-4-17-10(2)13(15(16)18)9-14(17)11-5-7-12(19-3)8-6-11/h5-9H,4H2,1-3H3,(H2,16,18)
InChIKeyOSLLQMSCPVOQGZ-UHFFFAOYSA-N
XLogP2.59
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-methoxyphenyl)methyl]-2-methyl-5-(4-methylphenyl)pyrrole-3-carboxamide
CID 3863509
1-(furan-2-ylmethyl)-5-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide
CID 3731735
1-[2-(2,5-dimethoxyphenyl)ethyl]-2-methyl-5-phenylpyrrole-3-carboxamide
CID 3862274
ethyl 1-(3-hydrazinyl-3-oxopropyl)-5-(4-methoxyphenyl)-2-methylpyrrole-3-carboxylate
CID 11559267
2-methyl-5-(4-methylphenyl)-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrole-3-carboxamide
CID 3863074
5-(2,5-dimethoxyphenyl)-1-[2-(4-methoxyphenyl)ethyl]-2-methylpyrrole-3-carboxamide
CID 3825510
5-(3-methoxyphenyl)-1-[2-(3-methoxyphenyl)ethyl]-2-methylpyrrole-3-carboxamide
CID 3827290
5-(3,4-difluorophenyl)-1-[2-(2,5-dimethoxyphenyl)ethyl]-2-methylpyrrole-3-carboxamide
CID 3757128
1-(3-ethoxypropyl)-2-methyl-5-(4-phenylphenyl)pyrrole-3-carboxamide
CID 3752316
2-methyl-5-phenyl-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrole-3-carboxamide
CID 3351332
1-[(2,3-dimethoxyphenyl)methyl]-2-methyl-5-naphthalen-2-ylpyrrole-3-carboxamide
CID 5168471
1-[2-(4-methoxyphenyl)ethyl]-2-methyl-5-(2-phenyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide
CID 134081993

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide?
The IUPAC name of 1-ethyl-5-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide (CID 68561015) is 1-ethyl-5-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide.
What is the SMILES notation for 1-ethyl-5-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide?
The canonical SMILES for 1-ethyl-5-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide is CCn1c(-c2ccc(OC)cc2)cc(C(N)=O)c1C.
What is the InChIKey of 1-ethyl-5-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide?
The InChIKey is OSLLQMSCPVOQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-4-17-10(2)13(15(16)18)9-14(17)11-5-7-12(19-3)8-6-11/h5-9H,4H2,1-3H3,(H2,16,18).
What are the key properties of 1-ethyl-5-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide?
1-ethyl-5-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide is sourced from PubChem (CID 68561015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).