5-[[2-[3-(pyrazol-1-ylmethyl)phenyl]imidazol-1-yl]methyl]pyrrolidin-2-one

C18H19N5O — CID 166619249

IUPAC5-[[2-[3-(pyrazol-1-ylmethyl)phenyl]imidazol-1-yl]methyl]pyrrolidin-2-one
SMILESO=C1CCC(Cn2ccnc2-c2cccc(Cn3cccn3)c2)N1
InChIInChI=1S/C18H19N5O/c24-17-6-5-16(21-17)13-22-10-8-19-18(22)15-4-1-3-14(11-15)12-23-9-2-7-20-23/h1-4,7-11,16H,5-6,12-13H2,(H,21,24)
InChIKeyTXOFYUWDBSHMNH-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.07
Rot. Bonds5

About 5-[[2-[3-(pyrazol-1-ylmethyl)phenyl]imidazol-1-yl]methyl]pyrrolidin-2-one

5-[[2-[3-(pyrazol-1-ylmethyl)phenyl]imidazol-1-yl]methyl]pyrrolidin-2-one (PubChem CID 166619249) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 5-[[2-[3-(pyrazol-1-ylmethyl)phenyl]imidazol-1-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[[2-[3-(pyrazol-1-ylmethyl)phenyl]imidazol-1-yl]methyl]pyrrolidin-2-one
PubChem CID166619249
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name5-[[2-[3-(pyrazol-1-ylmethyl)phenyl]imidazol-1-yl]methyl]pyrrolidin-2-one
SMILESO=C1CCC(Cn2ccnc2-c2cccc(Cn3cccn3)c2)N1
InChIInChI=1S/C18H19N5O/c24-17-6-5-16(21-17)13-22-10-8-19-18(22)15-4-1-3-14(11-15)12-23-9-2-7-20-23/h1-4,7-11,16H,5-6,12-13H2,(H,21,24)
InChIKeyTXOFYUWDBSHMNH-UHFFFAOYSA-N
XLogP2.07
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4S)-1-ethyl-4-[[2-[3-(pyrazol-1-ylmethyl)phenyl]imidazol-1-yl]methyl]pyrrolidin-2-one
CID 95553395
methyl 3-[1-[(5-oxopyrrolidin-2-yl)methyl]imidazol-2-yl]benzoate
CID 169412849
5-[[2-[4-methoxy-3-(methoxymethyl)phenyl]imidazol-1-yl]methyl]pyrrolidin-2-one
CID 166620278
5-[[2-(3-fluoro-4-methoxyphenyl)imidazol-1-yl]methyl]pyrrolidin-2-one
CID 166614652
5-[[2-(6-methoxy-2-pyridinyl)imidazol-1-yl]methyl]pyrrolidin-2-one
CID 169413262
5-[[2-[2-(4-chlorophenyl)pyrimidin-5-yl]imidazol-1-yl]methyl]pyrrolidin-2-one
CID 166613907
5-[[2-[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]imidazol-1-yl]methyl]pyrrolidin-2-one
CID 166624170
formic acid;1-(oxolan-3-yl)-2-[3-(pyrazol-1-ylmethyl)phenyl]imidazole
CID 163333896
5-[[2-[3-(3-chloro-4-fluorophenyl)-4-methoxyphenyl]imidazol-1-yl]methyl]pyrrolidin-2-one
CID 165424592
1-[(5-oxopyrrolidin-2-yl)methyl]pyridin-2-one
CID 130517287
5-[[2-[2,4-dimethyl-5-[(4-methylpiperidin-1-yl)methyl]phenyl]imidazol-1-yl]methyl]pyrrolidin-2-one
CID 169420644
[4-[[2-(3-pyrazol-1-ylphenyl)imidazol-1-yl]methyl]cyclohexyl]methanol
CID 154816686

Frequently Asked Questions

What is the IUPAC name of 5-[[2-[3-(pyrazol-1-ylmethyl)phenyl]imidazol-1-yl]methyl]pyrrolidin-2-one?
The IUPAC name of 5-[[2-[3-(pyrazol-1-ylmethyl)phenyl]imidazol-1-yl]methyl]pyrrolidin-2-one (CID 166619249) is 5-[[2-[3-(pyrazol-1-ylmethyl)phenyl]imidazol-1-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[[2-[3-(pyrazol-1-ylmethyl)phenyl]imidazol-1-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for 5-[[2-[3-(pyrazol-1-ylmethyl)phenyl]imidazol-1-yl]methyl]pyrrolidin-2-one is O=C1CCC(Cn2ccnc2-c2cccc(Cn3cccn3)c2)N1.
What is the InChIKey of 5-[[2-[3-(pyrazol-1-ylmethyl)phenyl]imidazol-1-yl]methyl]pyrrolidin-2-one?
The InChIKey is TXOFYUWDBSHMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c24-17-6-5-16(21-17)13-22-10-8-19-18(22)15-4-1-3-14(11-15)12-23-9-2-7-20-23/h1-4,7-11,16H,5-6,12-13H2,(H,21,24).
What are the key properties of 5-[[2-[3-(pyrazol-1-ylmethyl)phenyl]imidazol-1-yl]methyl]pyrrolidin-2-one?
5-[[2-[3-(pyrazol-1-ylmethyl)phenyl]imidazol-1-yl]methyl]pyrrolidin-2-one has a molecular weight of 321.38 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[3-(pyrazol-1-ylmethyl)phenyl]imidazol-1-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 166619249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).