(3R)-3-[[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]amino]-1-methylpyrrolidin-2-one

C17H22N4O — CID 99616166

IUPAC(3R)-3-[[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]amino]-1-methylpyrrolidin-2-one
SMILESCc1ccc(C)c(-n2ncc(N[C@@H]3CCN(C)C3=O)c2C)c1
InChIInChI=1S/C17H22N4O/c1-11-5-6-12(2)16(9-11)21-13(3)15(10-18-21)19-14-7-8-20(4)17(14)22/h5-6,9-10,14,19H,7-8H2,1-4H3/t14-/m1/s1
InChIKeyMRDMJZVTYRLACB-CQSZACIVSA-N
MW298.39 g/mol
LogP2.44
Rot. Bonds3

About (3R)-3-[[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]amino]-1-methylpyrrolidin-2-one

(3R)-3-[[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]amino]-1-methylpyrrolidin-2-one (PubChem CID 99616166) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is (3R)-3-[[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]amino]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-3-[[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]amino]-1-methylpyrrolidin-2-one
PubChem CID99616166
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name(3R)-3-[[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]amino]-1-methylpyrrolidin-2-one
SMILESCc1ccc(C)c(-n2ncc(N[C@@H]3CCN(C)C3=O)c2C)c1
InChIInChI=1S/C17H22N4O/c1-11-5-6-12(2)16(9-11)21-13(3)15(10-18-21)19-14-7-8-20(4)17(14)22/h5-6,9-10,14,19H,7-8H2,1-4H3/t14-/m1/s1
InChIKeyMRDMJZVTYRLACB-CQSZACIVSA-N
XLogP2.44
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122087409
3-methyl-4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzoic acid
CID 114165050
2-[[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]amino]propanamide
CID 86802649
(3R)-3-[(5-methyl-1-phenylpyrazol-4-yl)amino]-1-propan-2-ylpyrrolidin-2-one
CID 99615411
N-[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]-2-methyl-6-oxo-1H-pyridine-4-carboxamide
CID 99696822
3-[(5-bromo-4-methyl-2-pyridinyl)amino]-1-methylpyrrolidin-2-one
CID 103858137
4-chloro-5-[[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]amino]-2-phenylpyridazin-3-one
CID 133354000
4-chloro-2-(2,4-difluorophenyl)-5-[[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]amino]pyridazin-3-one
CID 133353923
3-(4-amino-2-chloroanilino)-1-methylpyrrolidin-2-one
CID 106251681
3-(2-bromo-4,6-dimethylanilino)-1-methylpyrrolidin-2-one
CID 81495857
2-butyl-4-chloro-5-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyridazin-3-one
CID 106258403
1-methyl-4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]quinolin-2-one
CID 106258245

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]amino]-1-methylpyrrolidin-2-one?
The IUPAC name of (3R)-3-[[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]amino]-1-methylpyrrolidin-2-one (CID 99616166) is (3R)-3-[[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]amino]-1-methylpyrrolidin-2-one.
What is the SMILES notation for (3R)-3-[[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]amino]-1-methylpyrrolidin-2-one?
The canonical SMILES for (3R)-3-[[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]amino]-1-methylpyrrolidin-2-one is Cc1ccc(C)c(-n2ncc(N[C@@H]3CCN(C)C3=O)c2C)c1.
What is the InChIKey of (3R)-3-[[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]amino]-1-methylpyrrolidin-2-one?
The InChIKey is MRDMJZVTYRLACB-CQSZACIVSA-N. The full InChI is InChI=1S/C17H22N4O/c1-11-5-6-12(2)16(9-11)21-13(3)15(10-18-21)19-14-7-8-20(4)17(14)22/h5-6,9-10,14,19H,7-8H2,1-4H3/t14-/m1/s1.
What are the key properties of (3R)-3-[[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]amino]-1-methylpyrrolidin-2-one?
(3R)-3-[[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]amino]-1-methylpyrrolidin-2-one has a molecular weight of 298.39 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]amino]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 99616166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).