(3R,4R)-N-[5-(3-tert-butylphenyl)-1-(2-chlorophenyl)pyrazol-3-yl]-4-methyl-5-oxopyrrolidine-3-carboxamide

C25H27ClN4O2 — CID 90657009

IUPAC(3R,4R)-N-[5-(3-tert-butylphenyl)-1-(2-chlorophenyl)pyrazol-3-yl]-4-methyl-5-oxopyrrolidine-3-carboxamide
SMILESC[C@H]1C(=O)NC[C@@H]1C(=O)Nc1cc(-c2cccc(C(C)(C)C)c2)n(-c2ccccc2Cl)n1
InChIInChI=1S/C25H27ClN4O2/c1-15-18(14-27-23(15)31)24(32)28-22-13-21(16-8-7-9-17(12-16)25(2,3)4)30(29-22)20-11-6-5-10-19(20)26/h5-13,15,18H,14H2,1-4H3,(H,27,31)(H,28,29,32)/t15-,18+/m1/s1
InChIKeyUEUFCPVOZVPASB-QAPCUYQASA-N
MW450.97 g/mol
LogP4.81
Rot. Bonds4

About (3R,4R)-N-[5-(3-tert-butylphenyl)-1-(2-chlorophenyl)pyrazol-3-yl]-4-methyl-5-oxopyrrolidine-3-carboxamide

(3R,4R)-N-[5-(3-tert-butylphenyl)-1-(2-chlorophenyl)pyrazol-3-yl]-4-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 90657009) has the molecular formula C25H27ClN4O2 and a molecular weight of 450.97 g/mol. Its IUPAC name is (3R,4R)-N-[5-(3-tert-butylphenyl)-1-(2-chlorophenyl)pyrazol-3-yl]-4-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R,4R)-N-[5-(3-tert-butylphenyl)-1-(2-chlorophenyl)pyrazol-3-yl]-4-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID90657009
Molecular FormulaC25H27ClN4O2
Molecular Weight450.97 g/mol
Exact Mass450.18
IUPAC Name(3R,4R)-N-[5-(3-tert-butylphenyl)-1-(2-chlorophenyl)pyrazol-3-yl]-4-methyl-5-oxopyrrolidine-3-carboxamide
SMILESC[C@H]1C(=O)NC[C@@H]1C(=O)Nc1cc(-c2cccc(C(C)(C)C)c2)n(-c2ccccc2Cl)n1
InChIInChI=1S/C25H27ClN4O2/c1-15-18(14-27-23(15)31)24(32)28-22-13-21(16-8-7-9-17(12-16)25(2,3)4)30(29-22)20-11-6-5-10-19(20)26/h5-13,15,18H,14H2,1-4H3,(H,27,31)(H,28,29,32)/t15-,18+/m1/s1
InChIKeyUEUFCPVOZVPASB-QAPCUYQASA-N
XLogP4.81
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.97
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,4R)-N-[5-[3-[1,1-bis(phosphanyl)ethoxy]phenyl]-1-(3-phosphanylphenyl)pyrazol-3-yl]-4-methyl-5-oxopyrrolidine-3-carboxamide
CID 170052467
(3R,4R)-4-methyl-5-oxo-N-[1-phenyl-5-[3-(2,2,2-trifluoroethoxymethyl)phenyl]pyrazol-3-yl]pyrrolidine-3-carboxamide
CID 89476636
(3R,4R)-N-[5-[3-(1,1-difluoropropyl)phenyl]-1-(oxan-4-yl)pyrazol-3-yl]-4-methyl-5-oxopyrrolidine-3-carboxamide
CID 89476679
1-(3-fluorophenyl)-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-amine;(3R,4R)-N-[1-(3-fluorophenyl)-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]-4-methyl-5-oxopyrrolidine-3-carboxamide;(3R,4R)-4-methyl-5-oxopyrrolidine-3-carboxylic acid
CID 158410213
(3R)-N-[1-(2-chlorophenyl)-5-[3-(2,2,2-trifluoroethoxy)phenyl]pyrazol-3-yl]-5-hydroxypyrrolidine-3-carboxamide
CID 162563462
(3R,4R)-N-[5-[3-fluoro-5-[(2-methylpropan-2-yl)oxy]phenyl]-1-pyrazin-2-ylpyrazol-3-yl]-4-methyl-5-oxopyrrolidine-3-carboxamide
CID 146226309
(3S)-N-[1-(2-fluorophenyl)-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 89476870
(3R)-N-[1-(2-fluorophenyl)-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 90656989
(3S)-N-[1-(2-methoxyphenyl)-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 89477035
(4R)-N-[5-[3-fluoro-5-[(2-methylpropan-2-yl)oxy]phenyl]-1-(trifluoromethyl)pyrazol-3-yl]-4-methyl-5-oxopyrrolidine-3-carboxamide
CID 170051050
(3S)-N-[1-(3-chlorophenyl)-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 89477020
(3R)-N-[1-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]-4-methyl-5-oxopyrrolidine-3-carboxamide
CID 162563463

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-N-[5-(3-tert-butylphenyl)-1-(2-chlorophenyl)pyrazol-3-yl]-4-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R,4R)-N-[5-(3-tert-butylphenyl)-1-(2-chlorophenyl)pyrazol-3-yl]-4-methyl-5-oxopyrrolidine-3-carboxamide (CID 90657009) is (3R,4R)-N-[5-(3-tert-butylphenyl)-1-(2-chlorophenyl)pyrazol-3-yl]-4-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R,4R)-N-[5-(3-tert-butylphenyl)-1-(2-chlorophenyl)pyrazol-3-yl]-4-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R,4R)-N-[5-(3-tert-butylphenyl)-1-(2-chlorophenyl)pyrazol-3-yl]-4-methyl-5-oxopyrrolidine-3-carboxamide is C[C@H]1C(=O)NC[C@@H]1C(=O)Nc1cc(-c2cccc(C(C)(C)C)c2)n(-c2ccccc2Cl)n1.
What is the InChIKey of (3R,4R)-N-[5-(3-tert-butylphenyl)-1-(2-chlorophenyl)pyrazol-3-yl]-4-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is UEUFCPVOZVPASB-QAPCUYQASA-N. The full InChI is InChI=1S/C25H27ClN4O2/c1-15-18(14-27-23(15)31)24(32)28-22-13-21(16-8-7-9-17(12-16)25(2,3)4)30(29-22)20-11-6-5-10-19(20)26/h5-13,15,18H,14H2,1-4H3,(H,27,31)(H,28,29,32)/t15-,18+/m1/s1.
What are the key properties of (3R,4R)-N-[5-(3-tert-butylphenyl)-1-(2-chlorophenyl)pyrazol-3-yl]-4-methyl-5-oxopyrrolidine-3-carboxamide?
(3R,4R)-N-[5-(3-tert-butylphenyl)-1-(2-chlorophenyl)pyrazol-3-yl]-4-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 450.97 g/mol, XLogP of 4.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-N-[5-(3-tert-butylphenyl)-1-(2-chlorophenyl)pyrazol-3-yl]-4-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 90657009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).