1-(3-tert-butyl-1-methylpyrazol-5-yl)-N-(2,6-dimethylphenyl)-2-methyl-5-oxopyrrolidine-2-carboxamide

C22H30N4O2 — CID 51361518

IUPAC1-(3-tert-butyl-1-methylpyrazol-5-yl)-N-(2,6-dimethylphenyl)-2-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCc1cccc(C)c1NC(=O)C1(C)CCC(=O)N1c1cc(C(C)(C)C)nn1C
InChIInChI=1S/C22H30N4O2/c1-14-9-8-10-15(2)19(14)23-20(28)22(6)12-11-18(27)26(22)17-13-16(21(3,4)5)24-25(17)7/h8-10,13H,11-12H2,1-7H3,(H,23,28)
InChIKeySUYQTNBJHRKQPE-UHFFFAOYSA-N
MW382.51 g/mol
LogP3.86
Rot. Bonds3

About 1-(3-tert-butyl-1-methylpyrazol-5-yl)-N-(2,6-dimethylphenyl)-2-methyl-5-oxopyrrolidine-2-carboxamide

1-(3-tert-butyl-1-methylpyrazol-5-yl)-N-(2,6-dimethylphenyl)-2-methyl-5-oxopyrrolidine-2-carboxamide (PubChem CID 51361518) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 1-(3-tert-butyl-1-methylpyrazol-5-yl)-N-(2,6-dimethylphenyl)-2-methyl-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(3-tert-butyl-1-methylpyrazol-5-yl)-N-(2,6-dimethylphenyl)-2-methyl-5-oxopyrrolidine-2-carboxamide
PubChem CID51361518
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC Name1-(3-tert-butyl-1-methylpyrazol-5-yl)-N-(2,6-dimethylphenyl)-2-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCc1cccc(C)c1NC(=O)C1(C)CCC(=O)N1c1cc(C(C)(C)C)nn1C
InChIInChI=1S/C22H30N4O2/c1-14-9-8-10-15(2)19(14)23-20(28)22(6)12-11-18(27)26(22)17-13-16(21(3,4)5)24-25(17)7/h8-10,13H,11-12H2,1-7H3,(H,23,28)
InChIKeySUYQTNBJHRKQPE-UHFFFAOYSA-N
XLogP3.86
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butyl-1-methylpyrazol-5-yl)-N-(2,6-dimethylphenyl)-2-methyl-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of 1-(3-tert-butyl-1-methylpyrazol-5-yl)-N-(2,6-dimethylphenyl)-2-methyl-5-oxopyrrolidine-2-carboxamide (CID 51361518) is 1-(3-tert-butyl-1-methylpyrazol-5-yl)-N-(2,6-dimethylphenyl)-2-methyl-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(3-tert-butyl-1-methylpyrazol-5-yl)-N-(2,6-dimethylphenyl)-2-methyl-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for 1-(3-tert-butyl-1-methylpyrazol-5-yl)-N-(2,6-dimethylphenyl)-2-methyl-5-oxopyrrolidine-2-carboxamide is Cc1cccc(C)c1NC(=O)C1(C)CCC(=O)N1c1cc(C(C)(C)C)nn1C.
What is the InChIKey of 1-(3-tert-butyl-1-methylpyrazol-5-yl)-N-(2,6-dimethylphenyl)-2-methyl-5-oxopyrrolidine-2-carboxamide?
The InChIKey is SUYQTNBJHRKQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-14-9-8-10-15(2)19(14)23-20(28)22(6)12-11-18(27)26(22)17-13-16(21(3,4)5)24-25(17)7/h8-10,13H,11-12H2,1-7H3,(H,23,28).
What are the key properties of 1-(3-tert-butyl-1-methylpyrazol-5-yl)-N-(2,6-dimethylphenyl)-2-methyl-5-oxopyrrolidine-2-carboxamide?
1-(3-tert-butyl-1-methylpyrazol-5-yl)-N-(2,6-dimethylphenyl)-2-methyl-5-oxopyrrolidine-2-carboxamide has a molecular weight of 382.51 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butyl-1-methylpyrazol-5-yl)-N-(2,6-dimethylphenyl)-2-methyl-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 51361518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).