1-(4-methylphenyl)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide

C20H20N6O2 — CID 134043998

IUPAC1-(4-methylphenyl)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)Nc3ccc(-n4cnnn4)c(C)c3)CC2=O)cc1
InChIInChI=1S/C20H20N6O2/c1-13-3-6-17(7-4-13)25-11-15(10-19(25)27)20(28)22-16-5-8-18(14(2)9-16)26-12-21-23-24-26/h3-9,12,15H,10-11H2,1-2H3,(H,22,28)
InChIKeyVLELJKOIEUTGNP-UHFFFAOYSA-N
MW376.42 g/mol
LogP2.27
Rot. Bonds4

About 1-(4-methylphenyl)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide

1-(4-methylphenyl)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 134043998) has the molecular formula C20H20N6O2 and a molecular weight of 376.42 g/mol. Its IUPAC name is 1-(4-methylphenyl)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-methylphenyl)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID134043998
Molecular FormulaC20H20N6O2
Molecular Weight376.42 g/mol
Exact Mass376.16
IUPAC Name1-(4-methylphenyl)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)Nc3ccc(-n4cnnn4)c(C)c3)CC2=O)cc1
InChIInChI=1S/C20H20N6O2/c1-13-3-6-17(7-4-13)25-11-15(10-19(25)27)20(28)22-16-5-8-18(14(2)9-16)26-12-21-23-24-26/h3-9,12,15H,10-11H2,1-2H3,(H,22,28)
InChIKeyVLELJKOIEUTGNP-UHFFFAOYSA-N
XLogP2.27
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-chlorophenyl)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 134044027
N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 18289629
N-(3-chloro-4-methylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 3098865
1-(4-methylphenyl)-5-oxo-N-pyridin-4-ylpyrrolidine-3-carboxamide
CID 2963146
(3R)-N-(3,5-dimethylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 880261
(3R)-N-(3-methylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 878925
(3S)-1-(4-bromophenyl)-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1109935
(3R)-N-(4-methyl-3-nitrophenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 39753290
(3S)-N-(3,4-dimethylphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 680186
1-(4-chlorophenyl)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 55871843
(3R)-N-(3,4-dichlorophenyl)-1-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9056162
5-oxo-N-[4-(tetrazol-1-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 56777819

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-methylphenyl)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide (CID 134043998) is 1-(4-methylphenyl)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-methylphenyl)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-methylphenyl)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide is Cc1ccc(N2CC(C(=O)Nc3ccc(-n4cnnn4)c(C)c3)CC2=O)cc1.
What is the InChIKey of 1-(4-methylphenyl)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is VLELJKOIEUTGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O2/c1-13-3-6-17(7-4-13)25-11-15(10-19(25)27)20(28)22-16-5-8-18(14(2)9-16)26-12-21-23-24-26/h3-9,12,15H,10-11H2,1-2H3,(H,22,28).
What are the key properties of 1-(4-methylphenyl)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide?
1-(4-methylphenyl)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 376.42 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 134043998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).