(4R,5S)-1-methyl-4-(1H-pyrazol-5-ylmethylamino)-5-pyridin-3-ylpyrrolidin-2-one

C14H17N5O — CID 167932575

IUPAC(4R,5S)-1-methyl-4-(1H-pyrazol-5-ylmethylamino)-5-pyridin-3-ylpyrrolidin-2-one
SMILESCN1C(=O)C[C@@H](NCc2ccn[nH]2)[C@@H]1c1cccnc1
InChIInChI=1S/C14H17N5O/c1-19-13(20)7-12(16-9-11-4-6-17-18-11)14(19)10-3-2-5-15-8-10/h2-6,8,12,14,16H,7,9H2,1H3,(H,17,18)/t12-,14+/m1/s1
InChIKeyJTWPCQZTMOIWTD-OCCSQVGLSA-N
MW271.32 g/mol
LogP0.87
Rot. Bonds4

About (4R,5S)-1-methyl-4-(1H-pyrazol-5-ylmethylamino)-5-pyridin-3-ylpyrrolidin-2-one

(4R,5S)-1-methyl-4-(1H-pyrazol-5-ylmethylamino)-5-pyridin-3-ylpyrrolidin-2-one (PubChem CID 167932575) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is (4R,5S)-1-methyl-4-(1H-pyrazol-5-ylmethylamino)-5-pyridin-3-ylpyrrolidin-2-one.

Molecular Properties

Compound Name(4R,5S)-1-methyl-4-(1H-pyrazol-5-ylmethylamino)-5-pyridin-3-ylpyrrolidin-2-one
PubChem CID167932575
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name(4R,5S)-1-methyl-4-(1H-pyrazol-5-ylmethylamino)-5-pyridin-3-ylpyrrolidin-2-one
SMILESCN1C(=O)C[C@@H](NCc2ccn[nH]2)[C@@H]1c1cccnc1
InChIInChI=1S/C14H17N5O/c1-19-13(20)7-12(16-9-11-4-6-17-18-11)14(19)10-3-2-5-15-8-10/h2-6,8,12,14,16H,7,9H2,1H3,(H,17,18)/t12-,14+/m1/s1
InChIKeyJTWPCQZTMOIWTD-OCCSQVGLSA-N
XLogP0.87
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4R,5S)-4-(1H-indol-4-ylmethylamino)-1-methyl-5-pyridin-3-ylpyrrolidin-2-one
CID 128976829
(4R,5S)-1-methyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]-5-pyridin-3-ylpyrrolidin-2-one
CID 128987599
(4R,5S)-1-methyl-4-[(1-methylbenzimidazol-5-yl)methylamino]-5-pyridin-3-ylpyrrolidin-2-one
CID 128976826
(4R,5R)-5-(4-chlorophenyl)-1-methyl-4-(pyridin-3-ylmethylamino)pyrrolidin-2-one
CID 97158629
2-fluoro-5-[[[(2S,3R)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidin-3-yl]amino]methyl]benzonitrile
CID 128987639
2-fluoro-4-[[[(2S,3R)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidin-3-yl]amino]methyl]benzonitrile
CID 128987673
(4R,5S)-4-[(6-ethyl-2-methylpyrimidin-4-yl)amino]-1-methyl-5-pyridin-3-ylpyrrolidin-2-one;hydroiodide
CID 167938842
2-(3-hydroxyphenyl)-N-[(2R,3S)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidin-3-yl]acetamide
CID 138013868
2-methyl-N-[(2S,3R)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidin-3-yl]benzenesulfonamide
CID 128977244
methyl (3S)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxylate
CID 58291565
(2R,3R)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxylic acid
CID 671219
(2R)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxylic acid;(3S)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxylic acid
CID 160516256

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-1-methyl-4-(1H-pyrazol-5-ylmethylamino)-5-pyridin-3-ylpyrrolidin-2-one?
The IUPAC name of (4R,5S)-1-methyl-4-(1H-pyrazol-5-ylmethylamino)-5-pyridin-3-ylpyrrolidin-2-one (CID 167932575) is (4R,5S)-1-methyl-4-(1H-pyrazol-5-ylmethylamino)-5-pyridin-3-ylpyrrolidin-2-one.
What is the SMILES notation for (4R,5S)-1-methyl-4-(1H-pyrazol-5-ylmethylamino)-5-pyridin-3-ylpyrrolidin-2-one?
The canonical SMILES for (4R,5S)-1-methyl-4-(1H-pyrazol-5-ylmethylamino)-5-pyridin-3-ylpyrrolidin-2-one is CN1C(=O)C[C@@H](NCc2ccn[nH]2)[C@@H]1c1cccnc1.
What is the InChIKey of (4R,5S)-1-methyl-4-(1H-pyrazol-5-ylmethylamino)-5-pyridin-3-ylpyrrolidin-2-one?
The InChIKey is JTWPCQZTMOIWTD-OCCSQVGLSA-N. The full InChI is InChI=1S/C14H17N5O/c1-19-13(20)7-12(16-9-11-4-6-17-18-11)14(19)10-3-2-5-15-8-10/h2-6,8,12,14,16H,7,9H2,1H3,(H,17,18)/t12-,14+/m1/s1.
What are the key properties of (4R,5S)-1-methyl-4-(1H-pyrazol-5-ylmethylamino)-5-pyridin-3-ylpyrrolidin-2-one?
(4R,5S)-1-methyl-4-(1H-pyrazol-5-ylmethylamino)-5-pyridin-3-ylpyrrolidin-2-one has a molecular weight of 271.32 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-1-methyl-4-(1H-pyrazol-5-ylmethylamino)-5-pyridin-3-ylpyrrolidin-2-one is sourced from PubChem (CID 167932575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).