(4S)-4-[5-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1H-imidazol-2-yl]pyrrolidin-2-one

C18H19N5O — CID 30920800

IUPAC(4S)-4-[5-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1H-imidazol-2-yl]pyrrolidin-2-one
SMILESCc1nn(-c2ccccc2)c(C)c1-c1cnc([C@@H]2CNC(=O)C2)[nH]1
InChIInChI=1S/C18H19N5O/c1-11-17(12(2)23(22-11)14-6-4-3-5-7-14)15-10-20-18(21-15)13-8-16(24)19-9-13/h3-7,10,13H,8-9H2,1-2H3,(H,19,24)(H,20,21)/t13-/m0/s1
InChIKeyNHEHCTYYDZLCCR-ZDUSSCGKSA-N
MW321.38 g/mol
LogP2.48
Rot. Bonds3

About (4S)-4-[5-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1H-imidazol-2-yl]pyrrolidin-2-one

(4S)-4-[5-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1H-imidazol-2-yl]pyrrolidin-2-one (PubChem CID 30920800) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is (4S)-4-[5-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1H-imidazol-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-[5-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1H-imidazol-2-yl]pyrrolidin-2-one
PubChem CID30920800
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name(4S)-4-[5-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1H-imidazol-2-yl]pyrrolidin-2-one
SMILESCc1nn(-c2ccccc2)c(C)c1-c1cnc([C@@H]2CNC(=O)C2)[nH]1
InChIInChI=1S/C18H19N5O/c1-11-17(12(2)23(22-11)14-6-4-3-5-7-14)15-10-20-18(21-15)13-8-16(24)19-9-13/h3-7,10,13H,8-9H2,1-2H3,(H,19,24)(H,20,21)/t13-/m0/s1
InChIKeyNHEHCTYYDZLCCR-ZDUSSCGKSA-N
XLogP2.48
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(4-methylphenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]pyrrolidin-2-one
CID 72907240
(4R)-4-(5-methyl-4-phenyl-1H-imidazol-2-yl)pyrrolidin-2-one
CID 29086396
4-phenylpyrrolidin-2-one;hydrate
CID 171699854
2,5-bis(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,3,4-oxadiazole
CID 2740693
4-pyridin-2-ylpyrrolidin-2-one
CID 47002994
3,4-dimethyl-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 155424536
4-(3,5-dimethyl-1-phenylpyrazol-4-yl)benzonitrile
CID 102168714
4-methanidyl-3,5-dimethyl-1-phenylpyrazole;yttrium
CID 176877441
(3R)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-4-ium-2-one
CID 7129008
1-(4-chlorophenyl)-3-methyl-6-phenyl-6,7-dihydro-5H-indazol-4-one
CID 17228188
7-bromo-3,6,6-trimethyl-1-phenyl-5,7-dihydroindazol-4-one
CID 5121882
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-morpholin-4-ylpyrrole-2,5-dione
CID 22728601

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[5-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1H-imidazol-2-yl]pyrrolidin-2-one?
The IUPAC name of (4S)-4-[5-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1H-imidazol-2-yl]pyrrolidin-2-one (CID 30920800) is (4S)-4-[5-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1H-imidazol-2-yl]pyrrolidin-2-one.
What is the SMILES notation for (4S)-4-[5-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1H-imidazol-2-yl]pyrrolidin-2-one?
The canonical SMILES for (4S)-4-[5-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1H-imidazol-2-yl]pyrrolidin-2-one is Cc1nn(-c2ccccc2)c(C)c1-c1cnc([C@@H]2CNC(=O)C2)[nH]1.
What is the InChIKey of (4S)-4-[5-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1H-imidazol-2-yl]pyrrolidin-2-one?
The InChIKey is NHEHCTYYDZLCCR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H19N5O/c1-11-17(12(2)23(22-11)14-6-4-3-5-7-14)15-10-20-18(21-15)13-8-16(24)19-9-13/h3-7,10,13H,8-9H2,1-2H3,(H,19,24)(H,20,21)/t13-/m0/s1.
What are the key properties of (4S)-4-[5-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1H-imidazol-2-yl]pyrrolidin-2-one?
(4S)-4-[5-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1H-imidazol-2-yl]pyrrolidin-2-one has a molecular weight of 321.38 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[5-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1H-imidazol-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 30920800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).