5-ethyl-4-(4-fluorophenyl)-1-[2-(1H-imidazol-5-yl)ethyl]-2-methylpyrrole-3-carboxamide

C19H21FN4O — CID 3254803

IUPAC5-ethyl-4-(4-fluorophenyl)-1-[2-(1H-imidazol-5-yl)ethyl]-2-methylpyrrole-3-carboxamide
SMILESCCc1c(-c2ccc(F)cc2)c(C(N)=O)c(C)n1CCc1cnc[nH]1
InChIInChI=1S/C19H21FN4O/c1-3-16-18(13-4-6-14(20)7-5-13)17(19(21)25)12(2)24(16)9-8-15-10-22-11-23-15/h4-7,10-11H,3,8-9H2,1-2H3,(H2,21,25)(H,22,23)
InChIKeyMFIWPDHGYBLIMV-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.23
Rot. Bonds6

About 5-ethyl-4-(4-fluorophenyl)-1-[2-(1H-imidazol-5-yl)ethyl]-2-methylpyrrole-3-carboxamide

5-ethyl-4-(4-fluorophenyl)-1-[2-(1H-imidazol-5-yl)ethyl]-2-methylpyrrole-3-carboxamide (PubChem CID 3254803) has the molecular formula C19H21FN4O and a molecular weight of 340.40 g/mol. Its IUPAC name is 5-ethyl-4-(4-fluorophenyl)-1-[2-(1H-imidazol-5-yl)ethyl]-2-methylpyrrole-3-carboxamide.

Molecular Properties

Compound Name5-ethyl-4-(4-fluorophenyl)-1-[2-(1H-imidazol-5-yl)ethyl]-2-methylpyrrole-3-carboxamide
PubChem CID3254803
Molecular FormulaC19H21FN4O
Molecular Weight340.40 g/mol
Exact Mass340.17
IUPAC Name5-ethyl-4-(4-fluorophenyl)-1-[2-(1H-imidazol-5-yl)ethyl]-2-methylpyrrole-3-carboxamide
SMILESCCc1c(-c2ccc(F)cc2)c(C(N)=O)c(C)n1CCc1cnc[nH]1
InChIInChI=1S/C19H21FN4O/c1-3-16-18(13-4-6-14(20)7-5-13)17(19(21)25)12(2)24(16)9-8-15-10-22-11-23-15/h4-7,10-11H,3,8-9H2,1-2H3,(H2,21,25)(H,22,23)
InChIKeyMFIWPDHGYBLIMV-UHFFFAOYSA-N
XLogP3.23
TPSA76.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-1-[2-(1H-imidazol-5-yl)ethyl]-4-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide
CID 3423935
5-ethyl-4-(3-hydroxyphenyl)-1-[2-(1H-imidazol-5-yl)ethyl]-2-methylpyrrole-3-carboxamide
CID 3831204
1-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-4-(4-phenylphenyl)-5-propylpyrrole-3-carboxamide
CID 3830805
4-(3-fluorophenyl)-1-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-5-pentylpyrrole-3-carboxamide
CID 3691039
4-[4-(dimethylamino)phenyl]-1-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-5-propylpyrrole-3-carboxamide
CID 3741634
5-butyl-4-(4-cyanophenyl)-1-[2-(1H-imidazol-5-yl)ethyl]-2-methylpyrrole-3-carboxamide
CID 3741402
5-ethyl-1-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-4-quinolin-2-ylpyrrole-3-carboxamide
CID 3776382
1-[3-(dimethylamino)propyl]-5-ethyl-4-(4-fluorophenyl)-2-methylpyrrole-3-carboxamide
CID 3759188
5-butyl-1-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-4-(3-phenoxyphenyl)pyrrole-3-carboxamide
CID 3849110
1-butyl-5-ethyl-2-methyl-4-[4-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
CID 3773578
4-(4-chlorophenyl)-5-ethyl-1-[2-(4-hydroxyphenyl)ethyl]-2-methylpyrrole-3-carboxamide
CID 3863874
5-ethyl-2-methyl-4-(4-phenylphenyl)-1-(2-thiophen-2-ylethyl)pyrrole-3-carboxamide
CID 3795524

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-(4-fluorophenyl)-1-[2-(1H-imidazol-5-yl)ethyl]-2-methylpyrrole-3-carboxamide?
The IUPAC name of 5-ethyl-4-(4-fluorophenyl)-1-[2-(1H-imidazol-5-yl)ethyl]-2-methylpyrrole-3-carboxamide (CID 3254803) is 5-ethyl-4-(4-fluorophenyl)-1-[2-(1H-imidazol-5-yl)ethyl]-2-methylpyrrole-3-carboxamide.
What is the SMILES notation for 5-ethyl-4-(4-fluorophenyl)-1-[2-(1H-imidazol-5-yl)ethyl]-2-methylpyrrole-3-carboxamide?
The canonical SMILES for 5-ethyl-4-(4-fluorophenyl)-1-[2-(1H-imidazol-5-yl)ethyl]-2-methylpyrrole-3-carboxamide is CCc1c(-c2ccc(F)cc2)c(C(N)=O)c(C)n1CCc1cnc[nH]1.
What is the InChIKey of 5-ethyl-4-(4-fluorophenyl)-1-[2-(1H-imidazol-5-yl)ethyl]-2-methylpyrrole-3-carboxamide?
The InChIKey is MFIWPDHGYBLIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O/c1-3-16-18(13-4-6-14(20)7-5-13)17(19(21)25)12(2)24(16)9-8-15-10-22-11-23-15/h4-7,10-11H,3,8-9H2,1-2H3,(H2,21,25)(H,22,23).
What are the key properties of 5-ethyl-4-(4-fluorophenyl)-1-[2-(1H-imidazol-5-yl)ethyl]-2-methylpyrrole-3-carboxamide?
5-ethyl-4-(4-fluorophenyl)-1-[2-(1H-imidazol-5-yl)ethyl]-2-methylpyrrole-3-carboxamide has a molecular weight of 340.40 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-(4-fluorophenyl)-1-[2-(1H-imidazol-5-yl)ethyl]-2-methylpyrrole-3-carboxamide is sourced from PubChem (CID 3254803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).