(4S)-4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]-1-phenylpyrrolidin-2-one

C17H22N4O2 — CID 94824770

IUPAC(4S)-4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]-1-phenylpyrrolidin-2-one
SMILESCOc1c(CN[C@H]2CC(=O)N(c3ccccc3)C2)c(C)nn1C
InChIInChI=1S/C17H22N4O2/c1-12-15(17(23-3)20(2)19-12)10-18-13-9-16(22)21(11-13)14-7-5-4-6-8-14/h4-8,13,18H,9-11H2,1-3H3/t13-/m0/s1
InChIKeyKDPCMTQECDHOSH-ZDUSSCGKSA-N
MW314.39 g/mol
LogP1.63
Rot. Bonds5

About (4S)-4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]-1-phenylpyrrolidin-2-one

(4S)-4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]-1-phenylpyrrolidin-2-one (PubChem CID 94824770) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is (4S)-4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]-1-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]-1-phenylpyrrolidin-2-one
PubChem CID94824770
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name(4S)-4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]-1-phenylpyrrolidin-2-one
SMILESCOc1c(CN[C@H]2CC(=O)N(c3ccccc3)C2)c(C)nn1C
InChIInChI=1S/C17H22N4O2/c1-12-15(17(23-3)20(2)19-12)10-18-13-9-16(22)21(11-13)14-7-5-4-6-8-14/h4-8,13,18H,9-11H2,1-3H3/t13-/m0/s1
InChIKeyKDPCMTQECDHOSH-ZDUSSCGKSA-N
XLogP1.63
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-ethylphenyl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-amine
CID 51105415
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 104705178
(1S)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 94822388
4-(1H-imidazol-2-ylmethylamino)-1-phenylpyrrolidin-2-one
CID 119111639
(4S)-4-(1H-imidazol-2-ylmethylamino)-1-phenylpyrrolidin-2-one
CID 164635792
4-[4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]piperidin-1-yl]benzonitrile
CID 51105404
4-[(2-cyclohexylpyrimidin-5-yl)methylamino]-1-phenylpyrrolidin-2-one
CID 56882134
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-methylaniline
CID 115884025
(1S)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(5-methyl-1-phenylpyrazol-4-yl)ethanamine
CID 94823192
2-ethyl-7-[[(5-oxo-1-phenylpyrrolidin-3-yl)amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 70745046
(1R,2R,3S)-3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]-2-pyrazol-1-ylcyclobutan-1-ol
CID 167871476
2-(4-methoxyphenyl)-N-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]acetamide
CID 7546938

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]-1-phenylpyrrolidin-2-one?
The IUPAC name of (4S)-4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]-1-phenylpyrrolidin-2-one (CID 94824770) is (4S)-4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]-1-phenylpyrrolidin-2-one.
What is the SMILES notation for (4S)-4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]-1-phenylpyrrolidin-2-one?
The canonical SMILES for (4S)-4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]-1-phenylpyrrolidin-2-one is COc1c(CN[C@H]2CC(=O)N(c3ccccc3)C2)c(C)nn1C.
What is the InChIKey of (4S)-4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]-1-phenylpyrrolidin-2-one?
The InChIKey is KDPCMTQECDHOSH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-12-15(17(23-3)20(2)19-12)10-18-13-9-16(22)21(11-13)14-7-5-4-6-8-14/h4-8,13,18H,9-11H2,1-3H3/t13-/m0/s1.
What are the key properties of (4S)-4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]-1-phenylpyrrolidin-2-one?
(4S)-4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]-1-phenylpyrrolidin-2-one has a molecular weight of 314.39 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]-1-phenylpyrrolidin-2-one is sourced from PubChem (CID 94824770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).