ethyl 3-(1-methyl-5-phenylpyrrol-2-yl)-5-phenyl-1H-pyrrole-2-carboxylate

C24H22N2O2 — CID 164666175

IUPACethyl 3-(1-methyl-5-phenylpyrrol-2-yl)-5-phenyl-1H-pyrrole-2-carboxylate
SMILESCCOC(=O)c1[nH]c(-c2ccccc2)cc1-c1ccc(-c2ccccc2)n1C
InChIInChI=1S/C24H22N2O2/c1-3-28-24(27)23-19(16-20(25-23)17-10-6-4-7-11-17)22-15-14-21(26(22)2)18-12-8-5-9-13-18/h4-16,25H,3H2,1-2H3
InChIKeyRFAKRDMSDCLAGC-UHFFFAOYSA-N
MW370.45 g/mol
LogP5.53
Rot. Bonds5

About ethyl 3-(1-methyl-5-phenylpyrrol-2-yl)-5-phenyl-1H-pyrrole-2-carboxylate

ethyl 3-(1-methyl-5-phenylpyrrol-2-yl)-5-phenyl-1H-pyrrole-2-carboxylate (PubChem CID 164666175) has the molecular formula C24H22N2O2 and a molecular weight of 370.45 g/mol. Its IUPAC name is ethyl 3-(1-methyl-5-phenylpyrrol-2-yl)-5-phenyl-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-(1-methyl-5-phenylpyrrol-2-yl)-5-phenyl-1H-pyrrole-2-carboxylate
PubChem CID164666175
Molecular FormulaC24H22N2O2
Molecular Weight370.45 g/mol
Exact Mass370.17
IUPAC Nameethyl 3-(1-methyl-5-phenylpyrrol-2-yl)-5-phenyl-1H-pyrrole-2-carboxylate
SMILESCCOC(=O)c1[nH]c(-c2ccccc2)cc1-c1ccc(-c2ccccc2)n1C
InChIInChI=1S/C24H22N2O2/c1-3-28-24(27)23-19(16-20(25-23)17-10-6-4-7-11-17)22-15-14-21(26(22)2)18-12-8-5-9-13-18/h4-16,25H,3H2,1-2H3
InChIKeyRFAKRDMSDCLAGC-UHFFFAOYSA-N
XLogP5.53
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.45
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Benzyl 3,5-dimethyl-4-ethyl-2-pyrrolecarboxylate
CID 563688
Ethyl indole-2-carboxylate
CID 73125
Methyl 5-(benzyloxycarbonyl)-2,4-dimethyl-3-pyrrolepropionate
CID 657433
benzyl 3-ethyl-4,5-dimethyl-1H-pyrrole-2-carboxylate
CID 2738239
Benzyl 5-[(acetyloxy)methyl]-4-(3-methoxy-3-oxopropyl)-3-methyl-1H-pyrrole-2-carboxylate
CID 563951
Diethyl 5,5'-methylenebis(4-ethyl-3-methyl-2-pyrrolecarboxylate)
CID 229260
Ethyl 3-Methylindole-2-carboxylate
CID 593963
Benzyl 4-ethyl-5-formyl-3-methyl-2-pyrrolecarboxylate
CID 698834
Methyl 5-phenyl-1H-pyrrole-2-carboxylate
CID 11217902
Benzyl 3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 4182378
ethyl 3,5-dimethyl-4-{[4-(trifluoromethyl)phenyl]methyl}-1H-pyrrole-2-carboxylate
CID 146020611
Ethyl 3-(2-aminoethyl)-1H-indole-2-carboxylate
CID 11064294

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(1-methyl-5-phenylpyrrol-2-yl)-5-phenyl-1H-pyrrole-2-carboxylate?
The IUPAC name of ethyl 3-(1-methyl-5-phenylpyrrol-2-yl)-5-phenyl-1H-pyrrole-2-carboxylate (CID 164666175) is ethyl 3-(1-methyl-5-phenylpyrrol-2-yl)-5-phenyl-1H-pyrrole-2-carboxylate.
What is the SMILES notation for ethyl 3-(1-methyl-5-phenylpyrrol-2-yl)-5-phenyl-1H-pyrrole-2-carboxylate?
The canonical SMILES for ethyl 3-(1-methyl-5-phenylpyrrol-2-yl)-5-phenyl-1H-pyrrole-2-carboxylate is CCOC(=O)c1[nH]c(-c2ccccc2)cc1-c1ccc(-c2ccccc2)n1C.
What is the InChIKey of ethyl 3-(1-methyl-5-phenylpyrrol-2-yl)-5-phenyl-1H-pyrrole-2-carboxylate?
The InChIKey is RFAKRDMSDCLAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O2/c1-3-28-24(27)23-19(16-20(25-23)17-10-6-4-7-11-17)22-15-14-21(26(22)2)18-12-8-5-9-13-18/h4-16,25H,3H2,1-2H3.
What are the key properties of ethyl 3-(1-methyl-5-phenylpyrrol-2-yl)-5-phenyl-1H-pyrrole-2-carboxylate?
ethyl 3-(1-methyl-5-phenylpyrrol-2-yl)-5-phenyl-1H-pyrrole-2-carboxylate has a molecular weight of 370.45 g/mol, XLogP of 5.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(1-methyl-5-phenylpyrrol-2-yl)-5-phenyl-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 164666175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).