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

C24H25ClN4O2 — CID 89476878

IUPAC(3R)-N-[5-(3-tert-butylphenyl)-1-(2-chlorophenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)(C)c1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)C3)nn2-c2ccccc2Cl)c1
InChIInChI=1S/C24H25ClN4O2/c1-24(2,3)17-8-6-7-15(11-17)20-13-21(27-23(31)16-12-22(30)26-14-16)28-29(20)19-10-5-4-9-18(19)25/h4-11,13,16H,12,14H2,1-3H3,(H,26,30)(H,27,28,31)/t16-/m1/s1
InChIKeyXTZWMYPMMWJABH-MRXNPFEDSA-N
MW436.94 g/mol
LogP4.56
Rot. Bonds4

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

(3R)-N-[5-(3-tert-butylphenyl)-1-(2-chlorophenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 89476878) has the molecular formula C24H25ClN4O2 and a molecular weight of 436.94 g/mol. Its IUPAC name is (3R)-N-[5-(3-tert-butylphenyl)-1-(2-chlorophenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[5-(3-tert-butylphenyl)-1-(2-chlorophenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
PubChem CID89476878
Molecular FormulaC24H25ClN4O2
Molecular Weight436.94 g/mol
Exact Mass436.17
IUPAC Name(3R)-N-[5-(3-tert-butylphenyl)-1-(2-chlorophenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)(C)c1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)C3)nn2-c2ccccc2Cl)c1
InChIInChI=1S/C24H25ClN4O2/c1-24(2,3)17-8-6-7-15(11-17)20-13-21(27-23(31)16-12-22(30)26-14-16)28-29(20)19-10-5-4-9-18(19)25/h4-11,13,16H,12,14H2,1-3H3,(H,26,30)(H,27,28,31)/t16-/m1/s1
InChIKeyXTZWMYPMMWJABH-MRXNPFEDSA-N
XLogP4.56
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.94
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,4R)-N-[5-(3-tert-butylphenyl)-1-(2-chlorophenyl)pyrazol-3-yl]-4-methyl-5-oxopyrrolidine-3-carboxamide
CID 90657009
(3R)-N-[1-cyclopentyl-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 71287777
(R)-2-Oxoimidazolidine-4-carboxylic acid[5-(3-butylphenyl)-1-phenyl-1H-pyrazol-3-yl]amide
CID 71287781
4-Oxo-3-azabicyclo[3.1.0]hexane-1-carboxylic acid [1-phenyl-5-(3-propylphenyl)-1H-pyrazol-3-yl]amide
CID 71287810
6-oxopiperidine-3-carboxylic acid [1-phenyl-5-(3-propylphenyl)-1H-pyrazol-3-yl]amide
CID 71287832
(R)-2-Oxoimidazolidine-4-carboxylic acid[1-phenyl-5-(3-propyl-phenyl)-1H-pyrazol-3-yl]amide
CID 71287882
(R)-3-methyl-2-oxoimidazolidine-4-carboxylic acid[1-phenyl-5-(3-propylphenyl)-1H-pyrazol-3-yl]amide
CID 89465846
(3R)-5-oxo-N-[5-(3-propylphenyl)-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolidine-3-carboxamide
CID 89476544
(3S)-N-[5-[3-(1,1-difluoropropyl)phenyl]-1-phenylpyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 89476545
5-oxo-N-[1-propan-2-yl-5-(3-propylphenyl)pyrazol-3-yl]pyrrolidine-3-carboxamide
CID 89476546
(3S)-N-[1-cyclopentyl-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 89476547
(3S)-N-[5-(3-fluoro-5-propylphenyl)-1-phenylpyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 89476552

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[5-(3-tert-butylphenyl)-1-(2-chlorophenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-[5-(3-tert-butylphenyl)-1-(2-chlorophenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide (CID 89476878) is (3R)-N-[5-(3-tert-butylphenyl)-1-(2-chlorophenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[5-(3-tert-butylphenyl)-1-(2-chlorophenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-[5-(3-tert-butylphenyl)-1-(2-chlorophenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide is CC(C)(C)c1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)C3)nn2-c2ccccc2Cl)c1.
What is the InChIKey of (3R)-N-[5-(3-tert-butylphenyl)-1-(2-chlorophenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is XTZWMYPMMWJABH-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H25ClN4O2/c1-24(2,3)17-8-6-7-15(11-17)20-13-21(27-23(31)16-12-22(30)26-14-16)28-29(20)19-10-5-4-9-18(19)25/h4-11,13,16H,12,14H2,1-3H3,(H,26,30)(H,27,28,31)/t16-/m1/s1.
What are the key properties of (3R)-N-[5-(3-tert-butylphenyl)-1-(2-chlorophenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide?
(3R)-N-[5-(3-tert-butylphenyl)-1-(2-chlorophenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 436.94 g/mol, XLogP of 4.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[5-(3-tert-butylphenyl)-1-(2-chlorophenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 89476878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).