1-(4-ethylphenyl)-5-oxo-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]pyrrolidine-3-carboxamide

C24H27N5O2 — CID 60559874

IUPAC1-(4-ethylphenyl)-5-oxo-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]pyrrolidine-3-carboxamide
SMILESCCc1ccc(N2CC(C(=O)Nc3ccccc3-c3n[nH]c(C(C)C)n3)CC2=O)cc1
InChIInChI=1S/C24H27N5O2/c1-4-16-9-11-18(12-10-16)29-14-17(13-21(29)30)24(31)25-20-8-6-5-7-19(20)23-26-22(15(2)3)27-28-23/h5-12,15,17H,4,13-14H2,1-3H3,(H,25,31)(H,26,27,28)
InChIKeyYNVGYGVHZYYIDB-UHFFFAOYSA-N
MW417.51 g/mol
LogP4.15
Rot. Bonds6

About 1-(4-ethylphenyl)-5-oxo-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]pyrrolidine-3-carboxamide

1-(4-ethylphenyl)-5-oxo-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 60559874) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-5-oxo-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-ethylphenyl)-5-oxo-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]pyrrolidine-3-carboxamide
PubChem CID60559874
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC Name1-(4-ethylphenyl)-5-oxo-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]pyrrolidine-3-carboxamide
SMILESCCc1ccc(N2CC(C(=O)Nc3ccccc3-c3n[nH]c(C(C)C)n3)CC2=O)cc1
InChIInChI=1S/C24H27N5O2/c1-4-16-9-11-18(12-10-16)29-14-17(13-21(29)30)24(31)25-20-8-6-5-7-19(20)23-26-22(15(2)3)27-28-23/h5-12,15,17H,4,13-14H2,1-3H3,(H,25,31)(H,26,27,28)
InChIKeyYNVGYGVHZYYIDB-UHFFFAOYSA-N
XLogP4.15
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-(4-ethylphenyl)-N-(2-iodophenyl)-5-oxopyrrolidine-3-carboxamide
CID 1102168
N-[2-(dimethylamino)phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 43063969
1-(4-ethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 3116947
(3R)-N-[2-(cyclopropylcarbamoyl)phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 26905657
N-[2-(tert-butylcarbamoyl)phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17082103
(3S)-N-[2-(tert-butylcarbamoyl)phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9390159
1-propanoyl-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]pyrrolidine-3-carboxamide
CID 154841515
N-[2-(benzylcarbamoyl)phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17082104
1-(4-ethylphenyl)-5-oxo-N-[2-(triazol-1-yl)phenyl]pyrrolidine-3-carboxamide
CID 112827657
(3S)-N-[2-(butylcarbamoyl)phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9390142
(3S)-N-[2-(cyclohexylcarbamoyl)phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 992778
(3S)-1-(4-ethylphenyl)-5-oxo-N-[2-(prop-2-enylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 40715031

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-5-oxo-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-ethylphenyl)-5-oxo-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]pyrrolidine-3-carboxamide (CID 60559874) is 1-(4-ethylphenyl)-5-oxo-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-ethylphenyl)-5-oxo-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-ethylphenyl)-5-oxo-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]pyrrolidine-3-carboxamide is CCc1ccc(N2CC(C(=O)Nc3ccccc3-c3n[nH]c(C(C)C)n3)CC2=O)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-5-oxo-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is YNVGYGVHZYYIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2/c1-4-16-9-11-18(12-10-16)29-14-17(13-21(29)30)24(31)25-20-8-6-5-7-19(20)23-26-22(15(2)3)27-28-23/h5-12,15,17H,4,13-14H2,1-3H3,(H,25,31)(H,26,27,28).
What are the key properties of 1-(4-ethylphenyl)-5-oxo-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]pyrrolidine-3-carboxamide?
1-(4-ethylphenyl)-5-oxo-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 417.51 g/mol, XLogP of 4.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-5-oxo-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 60559874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).