(4S,5R)-5-(1,5-dimethylpyrazol-4-yl)-4-[[1-(2-methoxyphenyl)propan-2-ylamino]methyl]-1-methylpyrrolidin-2-one

C21H30N4O2 — CID 128998594

IUPAC(4S,5R)-5-(1,5-dimethylpyrazol-4-yl)-4-[[1-(2-methoxyphenyl)propan-2-ylamino]methyl]-1-methylpyrrolidin-2-one
SMILESCOc1ccccc1CC(C)NC[C@@H]1CC(=O)N(C)[C@H]1c1cnn(C)c1C
InChIInChI=1S/C21H30N4O2/c1-14(10-16-8-6-7-9-19(16)27-5)22-12-17-11-20(26)24(3)21(17)18-13-23-25(4)15(18)2/h6-9,13-14,17,21-22H,10-12H2,1-5H3/t14?,17-,21+/m0/s1
InChIKeyWYTGBFAKEQCVAP-NPSBWMBFSA-N
MW370.50 g/mol
LogP2.48
Rot. Bonds7

About (4S,5R)-5-(1,5-dimethylpyrazol-4-yl)-4-[[1-(2-methoxyphenyl)propan-2-ylamino]methyl]-1-methylpyrrolidin-2-one

(4S,5R)-5-(1,5-dimethylpyrazol-4-yl)-4-[[1-(2-methoxyphenyl)propan-2-ylamino]methyl]-1-methylpyrrolidin-2-one (PubChem CID 128998594) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is (4S,5R)-5-(1,5-dimethylpyrazol-4-yl)-4-[[1-(2-methoxyphenyl)propan-2-ylamino]methyl]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-5-(1,5-dimethylpyrazol-4-yl)-4-[[1-(2-methoxyphenyl)propan-2-ylamino]methyl]-1-methylpyrrolidin-2-one
PubChem CID128998594
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC Name(4S,5R)-5-(1,5-dimethylpyrazol-4-yl)-4-[[1-(2-methoxyphenyl)propan-2-ylamino]methyl]-1-methylpyrrolidin-2-one
SMILESCOc1ccccc1CC(C)NC[C@@H]1CC(=O)N(C)[C@H]1c1cnn(C)c1C
InChIInChI=1S/C21H30N4O2/c1-14(10-16-8-6-7-9-19(16)27-5)22-12-17-11-20(26)24(3)21(17)18-13-23-25(4)15(18)2/h6-9,13-14,17,21-22H,10-12H2,1-5H3/t14?,17-,21+/m0/s1
InChIKeyWYTGBFAKEQCVAP-NPSBWMBFSA-N
XLogP2.48
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4S,5R)-5-(1,5-dimethylpyrazol-4-yl)-4-[[1-(2-methoxyphenyl)propan-2-ylamino]methyl]-1-methylpyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S,5R)-5-(1,5-dimethylpyrazol-4-yl)-1-methyl-4-[(pyrimidin-2-ylamino)methyl]pyrrolidin-2-one
CID 154803434
(4S,5R)-4-[[(2,5-dimethylfuran-3-yl)methylamino]methyl]-5-(1,5-dimethylpyrazol-4-yl)-1-methylpyrrolidin-2-one
CID 128992662
2-[[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)-1-methyl-5-oxopyrrolidin-3-yl]methyl]-1-phenylguanidine
CID 120603034
(2S)-1-(2-methoxyphenyl)-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]propan-2-amine
CID 129332905
(4S,5R)-5-(1,5-dimethylpyrazol-4-yl)-4-[[(2-ethyl-1-benzofuran-3-yl)methylamino]methyl]-1-methylpyrrolidin-2-one
CID 128991482
1-[[(2S,3R)-2-(1,5-dimethylpyrazol-4-yl)-1-methyl-5-oxopyrrolidin-3-yl]methyl]-3-[(1S,2S)-2-phenylcyclobutyl]urea
CID 164639750
1-(2,2-difluoroethyl)-N-[[(2S,3R)-2-(1,5-dimethylpyrazol-4-yl)-1-methyl-5-oxopyrrolidin-3-yl]methyl]-3-methylpyrazole-4-carboxamide
CID 164640012
N-[[(2S,3R)-2-(1,5-dimethylpyrazol-4-yl)-1-methyl-5-oxopyrrolidin-3-yl]methyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 138015949
N-[1-(1,5-dimethylpyrazol-4-yl)-2-(2-methoxyphenyl)ethyl]propan-1-amine
CID 105107339
(4S,5R)-4-[(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethylamino)methyl]-5-(1,5-dimethylpyrazol-4-yl)-1-methylpyrrolidin-2-one
CID 128997968
(4S,5R)-4-[[(2-cyclobutyl-1,3-thiazol-5-yl)methylamino]methyl]-5-(1,5-dimethylpyrazol-4-yl)-1-methylpyrrolidin-2-one
CID 128971848
1-[[(2S,3R)-2-(1,5-dimethylpyrazol-4-yl)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-3-pyridin-2-ylurea
CID 138015976

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-5-(1,5-dimethylpyrazol-4-yl)-4-[[1-(2-methoxyphenyl)propan-2-ylamino]methyl]-1-methylpyrrolidin-2-one?
The IUPAC name of (4S,5R)-5-(1,5-dimethylpyrazol-4-yl)-4-[[1-(2-methoxyphenyl)propan-2-ylamino]methyl]-1-methylpyrrolidin-2-one (CID 128998594) is (4S,5R)-5-(1,5-dimethylpyrazol-4-yl)-4-[[1-(2-methoxyphenyl)propan-2-ylamino]methyl]-1-methylpyrrolidin-2-one.
What is the SMILES notation for (4S,5R)-5-(1,5-dimethylpyrazol-4-yl)-4-[[1-(2-methoxyphenyl)propan-2-ylamino]methyl]-1-methylpyrrolidin-2-one?
The canonical SMILES for (4S,5R)-5-(1,5-dimethylpyrazol-4-yl)-4-[[1-(2-methoxyphenyl)propan-2-ylamino]methyl]-1-methylpyrrolidin-2-one is COc1ccccc1CC(C)NC[C@@H]1CC(=O)N(C)[C@H]1c1cnn(C)c1C.
What is the InChIKey of (4S,5R)-5-(1,5-dimethylpyrazol-4-yl)-4-[[1-(2-methoxyphenyl)propan-2-ylamino]methyl]-1-methylpyrrolidin-2-one?
The InChIKey is WYTGBFAKEQCVAP-NPSBWMBFSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-14(10-16-8-6-7-9-19(16)27-5)22-12-17-11-20(26)24(3)21(17)18-13-23-25(4)15(18)2/h6-9,13-14,17,21-22H,10-12H2,1-5H3/t14?,17-,21+/m0/s1.
What are the key properties of (4S,5R)-5-(1,5-dimethylpyrazol-4-yl)-4-[[1-(2-methoxyphenyl)propan-2-ylamino]methyl]-1-methylpyrrolidin-2-one?
(4S,5R)-5-(1,5-dimethylpyrazol-4-yl)-4-[[1-(2-methoxyphenyl)propan-2-ylamino]methyl]-1-methylpyrrolidin-2-one has a molecular weight of 370.50 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-5-(1,5-dimethylpyrazol-4-yl)-4-[[1-(2-methoxyphenyl)propan-2-ylamino]methyl]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 128998594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).