ethyl 4-methyl-3-(4-methyl-3-phenyl-1H-pyrrol-2-yl)-1H-pyrrole-2-carboxylate

C19H20N2O2 — CID 10733612

IUPACethyl 4-methyl-3-(4-methyl-3-phenyl-1H-pyrrol-2-yl)-1H-pyrrole-2-carboxylate
SMILESCCOC(=O)c1[nH]cc(C)c1-c1[nH]cc(C)c1-c1ccccc1
InChIInChI=1S/C19H20N2O2/c1-4-23-19(22)18-16(13(3)11-21-18)17-15(12(2)10-20-17)14-8-6-5-7-9-14/h5-11,20-21H,4H2,1-3H3
InChIKeyRIOGYXNETAECIC-UHFFFAOYSA-N
MW308.38 g/mol
LogP4.47
Rot. Bonds4

About ethyl 4-methyl-3-(4-methyl-3-phenyl-1H-pyrrol-2-yl)-1H-pyrrole-2-carboxylate

ethyl 4-methyl-3-(4-methyl-3-phenyl-1H-pyrrol-2-yl)-1H-pyrrole-2-carboxylate (PubChem CID 10733612) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is ethyl 4-methyl-3-(4-methyl-3-phenyl-1H-pyrrol-2-yl)-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-3-(4-methyl-3-phenyl-1H-pyrrol-2-yl)-1H-pyrrole-2-carboxylate
PubChem CID10733612
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Nameethyl 4-methyl-3-(4-methyl-3-phenyl-1H-pyrrol-2-yl)-1H-pyrrole-2-carboxylate
SMILESCCOC(=O)c1[nH]cc(C)c1-c1[nH]cc(C)c1-c1ccccc1
InChIInChI=1S/C19H20N2O2/c1-4-23-19(22)18-16(13(3)11-21-18)17-15(12(2)10-20-17)14-8-6-5-7-9-14/h5-11,20-21H,4H2,1-3H3
InChIKeyRIOGYXNETAECIC-UHFFFAOYSA-N
XLogP4.47
TPSA57.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Ethyl 2-methyl-4-phenyl-1h-pyrrole-3-carboxylate
CID 230431
2-Methyl-4-phenyl-1H-pyrrole-3-carboxylic acid methyl ester
CID 910657
ethyl 4-benzyl-2-methyl-1H-pyrrole-3-carboxylate
CID 2526776
3-(4-Fluorophenyl)-1-methyl-4-(4-pyridinyl)-5-(1,2,3,6-tetrahydro-4-pyridinyl)-1H-pyrrole-2-carboxylic acid methyl ester
CID 44419781
Ethyl 4,5,6,7-Tetrahydroisoindole-1-carboxylate
CID 10035498
methyl 4-phenyl-1H-pyrrole-2-carboxylate
CID 11593641
4-(2-Diethylamino-ethyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid benzyl ester
CID 5344988
ethyl 5-(4-fluorophenyl)-4-(pyridin-4-yl)-1H-pyrrole-2-carboxylate
CID 44411453
ethyl 4-[(6-cyano-3-pyridinyl)methyl]-3-methyl-1H-pyrrole-2-carboxylate
CID 156009525
ethyl 3,5-dimethyl-4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1H-pyrrole-2-carboxylate
CID 156009985
ethyl 3,5-dimethyl-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxylate
CID 156011562
ethyl 4-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-3-methyl-1H-pyrrole-2-carboxylate
CID 156014836

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-3-(4-methyl-3-phenyl-1H-pyrrol-2-yl)-1H-pyrrole-2-carboxylate?
The IUPAC name of ethyl 4-methyl-3-(4-methyl-3-phenyl-1H-pyrrol-2-yl)-1H-pyrrole-2-carboxylate (CID 10733612) is ethyl 4-methyl-3-(4-methyl-3-phenyl-1H-pyrrol-2-yl)-1H-pyrrole-2-carboxylate.
What is the SMILES notation for ethyl 4-methyl-3-(4-methyl-3-phenyl-1H-pyrrol-2-yl)-1H-pyrrole-2-carboxylate?
The canonical SMILES for ethyl 4-methyl-3-(4-methyl-3-phenyl-1H-pyrrol-2-yl)-1H-pyrrole-2-carboxylate is CCOC(=O)c1[nH]cc(C)c1-c1[nH]cc(C)c1-c1ccccc1.
What is the InChIKey of ethyl 4-methyl-3-(4-methyl-3-phenyl-1H-pyrrol-2-yl)-1H-pyrrole-2-carboxylate?
The InChIKey is RIOGYXNETAECIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-4-23-19(22)18-16(13(3)11-21-18)17-15(12(2)10-20-17)14-8-6-5-7-9-14/h5-11,20-21H,4H2,1-3H3.
What are the key properties of ethyl 4-methyl-3-(4-methyl-3-phenyl-1H-pyrrol-2-yl)-1H-pyrrole-2-carboxylate?
ethyl 4-methyl-3-(4-methyl-3-phenyl-1H-pyrrol-2-yl)-1H-pyrrole-2-carboxylate has a molecular weight of 308.38 g/mol, XLogP of 4.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-3-(4-methyl-3-phenyl-1H-pyrrol-2-yl)-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 10733612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).