(4R,5R)-4-[[(2R)-1-(2-fluorophenyl)propan-2-yl]amino]-1-methyl-5-(2-methylpyrazol-3-yl)pyrrolidin-2-one

C18H23FN4O — CID 129484302

IUPAC(4R,5R)-4-[[(2R)-1-(2-fluorophenyl)propan-2-yl]amino]-1-methyl-5-(2-methylpyrazol-3-yl)pyrrolidin-2-one
SMILESC[C@H](Cc1ccccc1F)N[C@@H]1CC(=O)N(C)[C@H]1c1ccnn1C
InChIInChI=1S/C18H23FN4O/c1-12(10-13-6-4-5-7-14(13)19)21-15-11-17(24)22(2)18(15)16-8-9-20-23(16)3/h4-9,12,15,18,21H,10-11H2,1-3H3/t12-,15-,18-/m1/s1
InChIKeyNIEASZHLQHWIMF-CDHAZOANSA-N
MW330.41 g/mol
LogP2.05
Rot. Bonds5

About (4R,5R)-4-[[(2R)-1-(2-fluorophenyl)propan-2-yl]amino]-1-methyl-5-(2-methylpyrazol-3-yl)pyrrolidin-2-one

(4R,5R)-4-[[(2R)-1-(2-fluorophenyl)propan-2-yl]amino]-1-methyl-5-(2-methylpyrazol-3-yl)pyrrolidin-2-one (PubChem CID 129484302) has the molecular formula C18H23FN4O and a molecular weight of 330.41 g/mol. Its IUPAC name is (4R,5R)-4-[[(2R)-1-(2-fluorophenyl)propan-2-yl]amino]-1-methyl-5-(2-methylpyrazol-3-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4R,5R)-4-[[(2R)-1-(2-fluorophenyl)propan-2-yl]amino]-1-methyl-5-(2-methylpyrazol-3-yl)pyrrolidin-2-one
PubChem CID129484302
Molecular FormulaC18H23FN4O
Molecular Weight330.41 g/mol
Exact Mass330.19
IUPAC Name(4R,5R)-4-[[(2R)-1-(2-fluorophenyl)propan-2-yl]amino]-1-methyl-5-(2-methylpyrazol-3-yl)pyrrolidin-2-one
SMILESC[C@H](Cc1ccccc1F)N[C@@H]1CC(=O)N(C)[C@H]1c1ccnn1C
InChIInChI=1S/C18H23FN4O/c1-12(10-13-6-4-5-7-14(13)19)21-15-11-17(24)22(2)18(15)16-8-9-20-23(16)3/h4-9,12,15,18,21H,10-11H2,1-3H3/t12-,15-,18-/m1/s1
InChIKeyNIEASZHLQHWIMF-CDHAZOANSA-N
XLogP2.05
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4R,5R)-4-[1-(3-chlorophenyl)propan-2-ylamino]-1-methyl-5-(2-methylpyrazol-3-yl)pyrrolidin-2-one
CID 128976953
(4R,5R)-4-[[(2S)-1-methoxy-3-phenylpropan-2-yl]amino]-1-methyl-5-(2-methylpyrazol-3-yl)pyrrolidin-2-one
CID 129483915
2-fluoro-6-methoxy-N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]benzamide
CID 128989105
(4R,5R)-1-methyl-5-(2-methylpyrazol-3-yl)-4-(pyrazolo[1,5-a]pyridin-3-ylmethylamino)pyrrolidin-2-one
CID 128969536
(4R,5R)-1-methyl-5-(2-methylpyrazol-3-yl)-4-[(3-methylquinoxalin-2-yl)amino]pyrrolidin-2-one
CID 128971132
(4R,5R)-4-(1,3-benzoxazol-2-ylamino)-1-methyl-5-(2-methylpyrazol-3-yl)pyrrolidin-2-one
CID 128980664
(4R,5R)-4-[(5-chloropyrimidin-2-yl)amino]-1-methyl-5-(2-methylpyrazol-3-yl)pyrrolidin-2-one
CID 128980646
N-[(2S,3S)-1-methyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]bicyclo[3.1.0]hexane-6-carboxamide
CID 154869795
3-methyl-N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]oxetane-3-carboxamide
CID 128989098
N-[1-(2-fluorophenyl)propan-2-yl]cycloheptanamine
CID 115592320
N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 128989099
(2S,3S)-2-(1-ethylimidazol-2-yl)-N-[(2R)-1-(2-fluorophenyl)propan-2-yl]oxan-3-amine
CID 124620783

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4-[[(2R)-1-(2-fluorophenyl)propan-2-yl]amino]-1-methyl-5-(2-methylpyrazol-3-yl)pyrrolidin-2-one?
The IUPAC name of (4R,5R)-4-[[(2R)-1-(2-fluorophenyl)propan-2-yl]amino]-1-methyl-5-(2-methylpyrazol-3-yl)pyrrolidin-2-one (CID 129484302) is (4R,5R)-4-[[(2R)-1-(2-fluorophenyl)propan-2-yl]amino]-1-methyl-5-(2-methylpyrazol-3-yl)pyrrolidin-2-one.
What is the SMILES notation for (4R,5R)-4-[[(2R)-1-(2-fluorophenyl)propan-2-yl]amino]-1-methyl-5-(2-methylpyrazol-3-yl)pyrrolidin-2-one?
The canonical SMILES for (4R,5R)-4-[[(2R)-1-(2-fluorophenyl)propan-2-yl]amino]-1-methyl-5-(2-methylpyrazol-3-yl)pyrrolidin-2-one is C[C@H](Cc1ccccc1F)N[C@@H]1CC(=O)N(C)[C@H]1c1ccnn1C.
What is the InChIKey of (4R,5R)-4-[[(2R)-1-(2-fluorophenyl)propan-2-yl]amino]-1-methyl-5-(2-methylpyrazol-3-yl)pyrrolidin-2-one?
The InChIKey is NIEASZHLQHWIMF-CDHAZOANSA-N. The full InChI is InChI=1S/C18H23FN4O/c1-12(10-13-6-4-5-7-14(13)19)21-15-11-17(24)22(2)18(15)16-8-9-20-23(16)3/h4-9,12,15,18,21H,10-11H2,1-3H3/t12-,15-,18-/m1/s1.
What are the key properties of (4R,5R)-4-[[(2R)-1-(2-fluorophenyl)propan-2-yl]amino]-1-methyl-5-(2-methylpyrazol-3-yl)pyrrolidin-2-one?
(4R,5R)-4-[[(2R)-1-(2-fluorophenyl)propan-2-yl]amino]-1-methyl-5-(2-methylpyrazol-3-yl)pyrrolidin-2-one has a molecular weight of 330.41 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4-[[(2R)-1-(2-fluorophenyl)propan-2-yl]amino]-1-methyl-5-(2-methylpyrazol-3-yl)pyrrolidin-2-one is sourced from PubChem (CID 129484302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).