1-tert-butyl-N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide

C25H31N5O2 — CID 108769084

IUPAC1-tert-butyl-N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1cc(C)c2nc(-n3nc(C)cc3NC(=O)C3CC(=O)N(C(C)(C)C)C3)cc(C)c2c1
InChIInChI=1S/C25H31N5O2/c1-14-8-16(3)23-19(9-14)15(2)10-20(26-23)30-21(11-17(4)28-30)27-24(32)18-12-22(31)29(13-18)25(5,6)7/h8-11,18H,12-13H2,1-7H3,(H,27,32)
InChIKeyCOUMQPYPVLQGIN-UHFFFAOYSA-N
MW433.56 g/mol
LogP4.24
Rot. Bonds3

About 1-tert-butyl-N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide

1-tert-butyl-N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 108769084) has the molecular formula C25H31N5O2 and a molecular weight of 433.56 g/mol. Its IUPAC name is 1-tert-butyl-N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
PubChem CID108769084
Molecular FormulaC25H31N5O2
Molecular Weight433.56 g/mol
Exact Mass433.25
IUPAC Name1-tert-butyl-N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1cc(C)c2nc(-n3nc(C)cc3NC(=O)C3CC(=O)N(C(C)(C)C)C3)cc(C)c2c1
InChIInChI=1S/C25H31N5O2/c1-14-8-16(3)23-19(9-14)15(2)10-20(26-23)30-21(11-17(4)28-30)27-24(32)18-12-22(31)29(13-18)25(5,6)7/h8-11,18H,12-13H2,1-7H3,(H,27,32)
InChIKeyCOUMQPYPVLQGIN-UHFFFAOYSA-N
XLogP4.24
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4,6-dimethylpyrimidin-2-yl)-N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]piperidine-4-carboxamide
CID 108746908
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]acetamide
CID 108806624
2-methylpropyl N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]carbamate
CID 108746882
ethyl 5-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]-1-(4,8-dimethylquinolin-2-yl)pyrazole-4-carboxylate
CID 108769179
1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(4,8-dimethylquinolin-2-yl)-5-methylpyrazol-3-yl]piperidine-4-carboxamide
CID 108747623
3-methyl-N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]-1-benzofuran-2-carboxamide
CID 108805486
3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]benzamide
CID 108746898
1-tert-butyl-N-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17081100
4-(5-chloro-2-methoxyphenyl)-N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]-4-oxobutanamide
CID 108746925
1-cyclopropyl-N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 138996070
1-tert-butyl-N-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17081152
4-fluoro-N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]benzenesulfonamide
CID 108783943

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-tert-butyl-N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide (CID 108769084) is 1-tert-butyl-N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-tert-butyl-N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-tert-butyl-N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide is Cc1cc(C)c2nc(-n3nc(C)cc3NC(=O)C3CC(=O)N(C(C)(C)C)C3)cc(C)c2c1.
What is the InChIKey of 1-tert-butyl-N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is COUMQPYPVLQGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O2/c1-14-8-16(3)23-19(9-14)15(2)10-20(26-23)30-21(11-17(4)28-30)27-24(32)18-12-22(31)29(13-18)25(5,6)7/h8-11,18H,12-13H2,1-7H3,(H,27,32).
What are the key properties of 1-tert-butyl-N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide?
1-tert-butyl-N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 433.56 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 108769084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).