1-(4-methylphenyl)-5-oxo-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxamide

C20H21N5O2S — CID 90572176

IUPAC1-(4-methylphenyl)-5-oxo-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)NCCc3csc(-n4cccn4)n3)CC2=O)cc1
InChIInChI=1S/C20H21N5O2S/c1-14-3-5-17(6-4-14)24-12-15(11-18(24)26)19(27)21-9-7-16-13-28-20(23-16)25-10-2-8-22-25/h2-6,8,10,13,15H,7,9,11-12H2,1H3,(H,21,27)
InChIKeyBPDSDCLMEZMEMM-UHFFFAOYSA-N
MW395.49 g/mol
LogP2.35
Rot. Bonds6

About 1-(4-methylphenyl)-5-oxo-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxamide

1-(4-methylphenyl)-5-oxo-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxamide (PubChem CID 90572176) has the molecular formula C20H21N5O2S and a molecular weight of 395.49 g/mol. Its IUPAC name is 1-(4-methylphenyl)-5-oxo-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-methylphenyl)-5-oxo-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxamide
PubChem CID90572176
Molecular FormulaC20H21N5O2S
Molecular Weight395.49 g/mol
Exact Mass395.14
IUPAC Name1-(4-methylphenyl)-5-oxo-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)NCCc3csc(-n4cccn4)n3)CC2=O)cc1
InChIInChI=1S/C20H21N5O2S/c1-14-3-5-17(6-4-14)24-12-15(11-18(24)26)19(27)21-9-7-16-13-28-20(23-16)25-10-2-8-22-25/h2-6,8,10,13,15H,7,9,11-12H2,1H3,(H,21,27)
InChIKeyBPDSDCLMEZMEMM-UHFFFAOYSA-N
XLogP2.35
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.49
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]cyclopentanecarboxamide
CID 71802186
1-(4-methylsulfanylphenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 43050125
1-(4-ethylphenyl)-5-oxo-N-[2-(4-pyrazol-1-ylphenyl)ethyl]pyrrolidine-3-carboxamide
CID 134036092
1-(3,4-dimethylphenyl)-N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-5-oxopyrrolidine-3-carboxamide
CID 90570929
1-(4-methylphenyl)-5-oxo-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]pyrrolidine-3-carboxamide
CID 90538835
5-oxo-1-phenyl-N-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxamide
CID 110624904
1-(2,3-dihydro-1H-inden-5-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 43058989
N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 90508466
(3S)-N-(2-acetamidoethyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 30595729
1-(2-bromophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 43058988
1-(3-chlorophenyl)-5-oxo-N-[2-(4-pyrazol-1-ylphenyl)ethyl]pyrrolidine-3-carboxamide
CID 43058932
1-(3,5-dimethylphenyl)-5-oxo-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide
CID 46109979

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-5-oxo-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-methylphenyl)-5-oxo-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxamide (CID 90572176) is 1-(4-methylphenyl)-5-oxo-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-methylphenyl)-5-oxo-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-methylphenyl)-5-oxo-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxamide is Cc1ccc(N2CC(C(=O)NCCc3csc(-n4cccn4)n3)CC2=O)cc1.
What is the InChIKey of 1-(4-methylphenyl)-5-oxo-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxamide?
The InChIKey is BPDSDCLMEZMEMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2S/c1-14-3-5-17(6-4-14)24-12-15(11-18(24)26)19(27)21-9-7-16-13-28-20(23-16)25-10-2-8-22-25/h2-6,8,10,13,15H,7,9,11-12H2,1H3,(H,21,27).
What are the key properties of 1-(4-methylphenyl)-5-oxo-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxamide?
1-(4-methylphenyl)-5-oxo-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxamide has a molecular weight of 395.49 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-5-oxo-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 90572176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).