1-[3-(dimethylamino)propyl]-5-ethyl-4-(4-fluorophenyl)-2-methylpyrrole-3-carboxamide

C19H26FN3O — CID 3759188

IUPAC1-[3-(dimethylamino)propyl]-5-ethyl-4-(4-fluorophenyl)-2-methylpyrrole-3-carboxamide
SMILESCCc1c(-c2ccc(F)cc2)c(C(N)=O)c(C)n1CCCN(C)C
InChIInChI=1S/C19H26FN3O/c1-5-16-18(14-7-9-15(20)10-8-14)17(19(21)24)13(2)23(16)12-6-11-22(3)4/h7-10H,5-6,11-12H2,1-4H3,(H2,21,24)
InChIKeyWLEDBXDNQFZYIV-UHFFFAOYSA-N
MW331.44 g/mol
LogP3.22
Rot. Bonds7

About 1-[3-(dimethylamino)propyl]-5-ethyl-4-(4-fluorophenyl)-2-methylpyrrole-3-carboxamide

1-[3-(dimethylamino)propyl]-5-ethyl-4-(4-fluorophenyl)-2-methylpyrrole-3-carboxamide (PubChem CID 3759188) has the molecular formula C19H26FN3O and a molecular weight of 331.44 g/mol. Its IUPAC name is 1-[3-(dimethylamino)propyl]-5-ethyl-4-(4-fluorophenyl)-2-methylpyrrole-3-carboxamide.

Molecular Properties

Compound Name1-[3-(dimethylamino)propyl]-5-ethyl-4-(4-fluorophenyl)-2-methylpyrrole-3-carboxamide
PubChem CID3759188
Molecular FormulaC19H26FN3O
Molecular Weight331.44 g/mol
Exact Mass331.21
IUPAC Name1-[3-(dimethylamino)propyl]-5-ethyl-4-(4-fluorophenyl)-2-methylpyrrole-3-carboxamide
SMILESCCc1c(-c2ccc(F)cc2)c(C(N)=O)c(C)n1CCCN(C)C
InChIInChI=1S/C19H26FN3O/c1-5-16-18(14-7-9-15(20)10-8-14)17(19(21)24)13(2)23(16)12-6-11-22(3)4/h7-10H,5-6,11-12H2,1-4H3,(H2,21,24)
InChIKeyWLEDBXDNQFZYIV-UHFFFAOYSA-N
XLogP3.22
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(dimethylamino)propyl]-4-(4-methoxyphenyl)-2-methyl-5-pentylpyrrole-3-carboxamide
CID 3766380
1-butyl-5-ethyl-2-methyl-4-[4-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
CID 3773578
4-(4-chlorophenyl)-1-[3-(dimethylamino)propyl]-2,5-dimethylpyrrole-3-carboxamide
CID 3874510
5-ethyl-4-(4-fluorophenyl)-1-[2-(1H-imidazol-5-yl)ethyl]-2-methylpyrrole-3-carboxamide
CID 3254803
4-(4-cyanophenyl)-5-ethyl-2-methyl-1-undecylpyrrole-3-carboxamide
CID 3864069
methyl 4-[4-carbamoyl-2-ethyl-1-(3-hydroxypropyl)-5-methylpyrrol-3-yl]benzoate
CID 3781922
4-(4-bromophenyl)-1-(3-ethoxypropyl)-5-ethyl-2-methylpyrrole-3-carboxamide
CID 3843034
1-butyl-2-methyl-4-(4-phenylphenyl)-5-propylpyrrole-3-carboxamide
CID 3744481
methyl 4-(4-carbamoyl-2-ethyl-5-methyl-1-propylpyrrol-3-yl)benzoate
CID 3719108
1,5-dibutyl-2-methyl-4-[4-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
CID 3748147
1-(3-hydroxypropyl)-2-methyl-4-(4-methylphenyl)-5-pentylpyrrole-3-carboxamide
CID 3794616
1,5-dibutyl-4-(3-fluorophenyl)-2-methylpyrrole-3-carboxamide
CID 3748139

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)propyl]-5-ethyl-4-(4-fluorophenyl)-2-methylpyrrole-3-carboxamide?
The IUPAC name of 1-[3-(dimethylamino)propyl]-5-ethyl-4-(4-fluorophenyl)-2-methylpyrrole-3-carboxamide (CID 3759188) is 1-[3-(dimethylamino)propyl]-5-ethyl-4-(4-fluorophenyl)-2-methylpyrrole-3-carboxamide.
What is the SMILES notation for 1-[3-(dimethylamino)propyl]-5-ethyl-4-(4-fluorophenyl)-2-methylpyrrole-3-carboxamide?
The canonical SMILES for 1-[3-(dimethylamino)propyl]-5-ethyl-4-(4-fluorophenyl)-2-methylpyrrole-3-carboxamide is CCc1c(-c2ccc(F)cc2)c(C(N)=O)c(C)n1CCCN(C)C.
What is the InChIKey of 1-[3-(dimethylamino)propyl]-5-ethyl-4-(4-fluorophenyl)-2-methylpyrrole-3-carboxamide?
The InChIKey is WLEDBXDNQFZYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O/c1-5-16-18(14-7-9-15(20)10-8-14)17(19(21)24)13(2)23(16)12-6-11-22(3)4/h7-10H,5-6,11-12H2,1-4H3,(H2,21,24).
What are the key properties of 1-[3-(dimethylamino)propyl]-5-ethyl-4-(4-fluorophenyl)-2-methylpyrrole-3-carboxamide?
1-[3-(dimethylamino)propyl]-5-ethyl-4-(4-fluorophenyl)-2-methylpyrrole-3-carboxamide has a molecular weight of 331.44 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)propyl]-5-ethyl-4-(4-fluorophenyl)-2-methylpyrrole-3-carboxamide is sourced from PubChem (CID 3759188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).