N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide

C24H26N4O2S — CID 45351423

IUPACN-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCSc1cccc(N2CC(C(=O)N(C)Cc3cnn(Cc4ccccc4)c3)CC2=O)c1
InChIInChI=1S/C24H26N4O2S/c1-26(14-19-13-25-27(16-19)15-18-7-4-3-5-8-18)24(30)20-11-23(29)28(17-20)21-9-6-10-22(12-21)31-2/h3-10,12-13,16,20H,11,14-15,17H2,1-2H3
InChIKeyWGSUQFYUDSJNDC-UHFFFAOYSA-N
MW434.57 g/mol
LogP3.66
Rot. Bonds7

About N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide

N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 45351423) has the molecular formula C24H26N4O2S and a molecular weight of 434.57 g/mol. Its IUPAC name is N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID45351423
Molecular FormulaC24H26N4O2S
Molecular Weight434.57 g/mol
Exact Mass434.18
IUPAC NameN-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCSc1cccc(N2CC(C(=O)N(C)Cc3cnn(Cc4ccccc4)c3)CC2=O)c1
InChIInChI=1S/C24H26N4O2S/c1-26(14-19-13-25-27(16-19)15-18-7-4-3-5-8-18)24(30)20-11-23(29)28(17-20)21-9-6-10-22(12-21)31-2/h3-10,12-13,16,20H,11,14-15,17H2,1-2H3
InChIKeyWGSUQFYUDSJNDC-UHFFFAOYSA-N
XLogP3.66
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.57
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42896459
(3R)-N-[(1-benzylpyrazol-4-yl)methyl]-1-(3-methoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 39982908
N-[(1-benzylpyrazol-4-yl)methyl]-1-(3-methoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 42947066
(3R)-N-[(1-benzylpyrazol-4-yl)methyl]-N,1-dimethyl-5-oxopyrrolidine-3-carboxamide
CID 94097512
(3R)-N-methyl-1-(3-methylsulfanylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 34319195
1-cyclopropyl-N-methyl-N-[(3-methylsulfanylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 70775095
N-benzyl-1-(4-chlorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 17082168
(3S)-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 2433248
N-benzyl-1-(2,6-difluorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 113192236
1-(2-ethylphenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 51266510
N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 18112343
1-[(1-benzylpyrazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168691484

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 45351423) is N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide is CSc1cccc(N2CC(C(=O)N(C)Cc3cnn(Cc4ccccc4)c3)CC2=O)c1.
What is the InChIKey of N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is WGSUQFYUDSJNDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2S/c1-26(14-19-13-25-27(16-19)15-18-7-4-3-5-8-18)24(30)20-11-23(29)28(17-20)21-9-6-10-22(12-21)31-2/h3-10,12-13,16,20H,11,14-15,17H2,1-2H3.
What are the key properties of N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide?
N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 434.57 g/mol, XLogP of 3.66, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 45351423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).