4-[[2-(3,5-dimethyl-2-pyrazol-1-ylphenyl)imidazol-1-yl]methyl]-1-methylpyrrolidin-2-one

C20H23N5O — CID 146038672

IUPAC4-[[2-(3,5-dimethyl-2-pyrazol-1-ylphenyl)imidazol-1-yl]methyl]-1-methylpyrrolidin-2-one
SMILESCc1cc(C)c(-n2cccn2)c(-c2nccn2CC2CC(=O)N(C)C2)c1
InChIInChI=1S/C20H23N5O/c1-14-9-15(2)19(25-7-4-5-22-25)17(10-14)20-21-6-8-24(20)13-16-11-18(26)23(3)12-16/h4-10,16H,11-13H2,1-3H3
InChIKeyQGXSYLCRTFFZGJ-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.83
Rot. Bonds4

About 4-[[2-(3,5-dimethyl-2-pyrazol-1-ylphenyl)imidazol-1-yl]methyl]-1-methylpyrrolidin-2-one

4-[[2-(3,5-dimethyl-2-pyrazol-1-ylphenyl)imidazol-1-yl]methyl]-1-methylpyrrolidin-2-one (PubChem CID 146038672) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 4-[[2-(3,5-dimethyl-2-pyrazol-1-ylphenyl)imidazol-1-yl]methyl]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name4-[[2-(3,5-dimethyl-2-pyrazol-1-ylphenyl)imidazol-1-yl]methyl]-1-methylpyrrolidin-2-one
PubChem CID146038672
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name4-[[2-(3,5-dimethyl-2-pyrazol-1-ylphenyl)imidazol-1-yl]methyl]-1-methylpyrrolidin-2-one
SMILESCc1cc(C)c(-n2cccn2)c(-c2nccn2CC2CC(=O)N(C)C2)c1
InChIInChI=1S/C20H23N5O/c1-14-9-15(2)19(25-7-4-5-22-25)17(10-14)20-21-6-8-24(20)13-16-11-18(26)23(3)12-16/h4-10,16H,11-13H2,1-3H3
InChIKeyQGXSYLCRTFFZGJ-UHFFFAOYSA-N
XLogP2.83
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[[2-(3,5-dimethyl-2-pyrazol-1-ylphenyl)imidazol-1-yl]methyl]-1-methylpyrrolidin-2-one with MolForge

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Related Compounds

2-[2-[2-(3,5-dimethyl-2-pyrazol-1-ylphenyl)imidazol-1-yl]ethyl]pyrazine
CID 56880487
1-methyl-4-[[2-[2-(3-methylphenyl)pyrimidin-5-yl]imidazol-1-yl]methyl]pyrrolidin-2-one
CID 146041584
4-[[2-(2,3-difluoro-6-methoxyphenyl)imidazol-1-yl]methyl]-1-methylpyrrolidin-2-one
CID 146042997
(4S)-1-ethyl-4-[[2-[3-(pyrazol-1-ylmethyl)phenyl]imidazol-1-yl]methyl]pyrrolidin-2-one
CID 95553395
2-(2-methoxy-3,5-dimethylphenyl)-1-(oxan-3-ylmethyl)imidazole
CID 56876111
1-cyclopropyl-4-[[2-(2,6-difluoro-3-methylphenyl)imidazol-1-yl]methyl]pyrrolidin-2-one
CID 155491539
1-methyl-4-[[3-(pyrimidin-2-yloxymethyl)piperidin-1-yl]methyl]pyrrolidin-2-one
CID 146077970
(2S,4R)-1-[(3,5-dimethyl-2-pyrazol-1-ylphenyl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 135095107
1-cyclopropyl-4-[[2-(1,2-thiazol-4-yl)imidazol-1-yl]methyl]pyrrolidin-2-one
CID 154569202
1-(2-amino-4,6-dimethylphenyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168662651
5-[[2-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)imidazol-1-yl]methyl]pyrrolidin-2-one
CID 169419039
[4-[[2-(3-pyrazol-1-ylphenyl)imidazol-1-yl]methyl]cyclohexyl]methanol
CID 154816686

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3,5-dimethyl-2-pyrazol-1-ylphenyl)imidazol-1-yl]methyl]-1-methylpyrrolidin-2-one?
The IUPAC name of 4-[[2-(3,5-dimethyl-2-pyrazol-1-ylphenyl)imidazol-1-yl]methyl]-1-methylpyrrolidin-2-one (CID 146038672) is 4-[[2-(3,5-dimethyl-2-pyrazol-1-ylphenyl)imidazol-1-yl]methyl]-1-methylpyrrolidin-2-one.
What is the SMILES notation for 4-[[2-(3,5-dimethyl-2-pyrazol-1-ylphenyl)imidazol-1-yl]methyl]-1-methylpyrrolidin-2-one?
The canonical SMILES for 4-[[2-(3,5-dimethyl-2-pyrazol-1-ylphenyl)imidazol-1-yl]methyl]-1-methylpyrrolidin-2-one is Cc1cc(C)c(-n2cccn2)c(-c2nccn2CC2CC(=O)N(C)C2)c1.
What is the InChIKey of 4-[[2-(3,5-dimethyl-2-pyrazol-1-ylphenyl)imidazol-1-yl]methyl]-1-methylpyrrolidin-2-one?
The InChIKey is QGXSYLCRTFFZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-14-9-15(2)19(25-7-4-5-22-25)17(10-14)20-21-6-8-24(20)13-16-11-18(26)23(3)12-16/h4-10,16H,11-13H2,1-3H3.
What are the key properties of 4-[[2-(3,5-dimethyl-2-pyrazol-1-ylphenyl)imidazol-1-yl]methyl]-1-methylpyrrolidin-2-one?
4-[[2-(3,5-dimethyl-2-pyrazol-1-ylphenyl)imidazol-1-yl]methyl]-1-methylpyrrolidin-2-one has a molecular weight of 349.44 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3,5-dimethyl-2-pyrazol-1-ylphenyl)imidazol-1-yl]methyl]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 146038672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).