(4S)-1-ethyl-4-[[2-[3-(pyrazol-1-ylmethyl)phenyl]imidazol-1-yl]methyl]pyrrolidin-2-one

C20H23N5O — CID 95553395

IUPAC(4S)-1-ethyl-4-[[2-[3-(pyrazol-1-ylmethyl)phenyl]imidazol-1-yl]methyl]pyrrolidin-2-one
SMILESCCN1C[C@H](Cn2ccnc2-c2cccc(Cn3cccn3)c2)CC1=O
InChIInChI=1S/C20H23N5O/c1-2-23-13-17(12-19(23)26)14-24-10-8-21-20(24)18-6-3-5-16(11-18)15-25-9-4-7-22-25/h3-11,17H,2,12-15H2,1H3/t17-/m1/s1
InChIKeyCLEBUNNXSLHAGT-QGZVFWFLSA-N
MW349.44 g/mol
LogP2.66
Rot. Bonds6

About (4S)-1-ethyl-4-[[2-[3-(pyrazol-1-ylmethyl)phenyl]imidazol-1-yl]methyl]pyrrolidin-2-one

(4S)-1-ethyl-4-[[2-[3-(pyrazol-1-ylmethyl)phenyl]imidazol-1-yl]methyl]pyrrolidin-2-one (PubChem CID 95553395) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is (4S)-1-ethyl-4-[[2-[3-(pyrazol-1-ylmethyl)phenyl]imidazol-1-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-1-ethyl-4-[[2-[3-(pyrazol-1-ylmethyl)phenyl]imidazol-1-yl]methyl]pyrrolidin-2-one
PubChem CID95553395
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name(4S)-1-ethyl-4-[[2-[3-(pyrazol-1-ylmethyl)phenyl]imidazol-1-yl]methyl]pyrrolidin-2-one
SMILESCCN1C[C@H](Cn2ccnc2-c2cccc(Cn3cccn3)c2)CC1=O
InChIInChI=1S/C20H23N5O/c1-2-23-13-17(12-19(23)26)14-24-10-8-21-20(24)18-6-3-5-16(11-18)15-25-9-4-7-22-25/h3-11,17H,2,12-15H2,1H3/t17-/m1/s1
InChIKeyCLEBUNNXSLHAGT-QGZVFWFLSA-N
XLogP2.66
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4S)-1-ethyl-4-[[2-[3-(pyrazol-1-ylmethyl)phenyl]imidazol-1-yl]methyl]pyrrolidin-2-one with MolForge

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Related Compounds

5-[[2-[3-(pyrazol-1-ylmethyl)phenyl]imidazol-1-yl]methyl]pyrrolidin-2-one
CID 166619249
1-methyl-4-[[2-[2-(3-methylphenyl)pyrimidin-5-yl]imidazol-1-yl]methyl]pyrrolidin-2-one
CID 146041584
formic acid;1-(oxolan-3-yl)-2-[3-(pyrazol-1-ylmethyl)phenyl]imidazole
CID 163333896
N-[[3-(1-ethylimidazol-2-yl)phenyl]methyl]cyclopropanamine
CID 63975192
[4-[[2-[3-(2,2,2-trifluoroethyl)phenyl]imidazol-1-yl]methyl]cyclohexyl]methanol
CID 155911999
4-[[2-(3,5-dimethyl-2-pyrazol-1-ylphenyl)imidazol-1-yl]methyl]-1-methylpyrrolidin-2-one
CID 146038672
(3S)-1-ethyl-3-[3-(pyrazol-1-ylmethyl)anilino]pyrrolidine-2,5-dione
CID 98419532
[4-[[2-(3-pyrazol-1-ylphenyl)imidazol-1-yl]methyl]cyclohexyl]methanol
CID 154816686
[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-[3-(pyrazol-1-ylmethyl)phenyl]methanone
CID 97282581
3-(pyrazol-1-ylmethyl)phenol
CID 24745197
3-[3-(pyrazol-1-ylmethyl)phenyl]benzoic acid
CID 142326100
[3-(1-propylimidazol-2-yl)phenyl]methanamine
CID 63974354

Frequently Asked Questions

What is the IUPAC name of (4S)-1-ethyl-4-[[2-[3-(pyrazol-1-ylmethyl)phenyl]imidazol-1-yl]methyl]pyrrolidin-2-one?
The IUPAC name of (4S)-1-ethyl-4-[[2-[3-(pyrazol-1-ylmethyl)phenyl]imidazol-1-yl]methyl]pyrrolidin-2-one (CID 95553395) is (4S)-1-ethyl-4-[[2-[3-(pyrazol-1-ylmethyl)phenyl]imidazol-1-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for (4S)-1-ethyl-4-[[2-[3-(pyrazol-1-ylmethyl)phenyl]imidazol-1-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for (4S)-1-ethyl-4-[[2-[3-(pyrazol-1-ylmethyl)phenyl]imidazol-1-yl]methyl]pyrrolidin-2-one is CCN1C[C@H](Cn2ccnc2-c2cccc(Cn3cccn3)c2)CC1=O.
What is the InChIKey of (4S)-1-ethyl-4-[[2-[3-(pyrazol-1-ylmethyl)phenyl]imidazol-1-yl]methyl]pyrrolidin-2-one?
The InChIKey is CLEBUNNXSLHAGT-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H23N5O/c1-2-23-13-17(12-19(23)26)14-24-10-8-21-20(24)18-6-3-5-16(11-18)15-25-9-4-7-22-25/h3-11,17H,2,12-15H2,1H3/t17-/m1/s1.
What are the key properties of (4S)-1-ethyl-4-[[2-[3-(pyrazol-1-ylmethyl)phenyl]imidazol-1-yl]methyl]pyrrolidin-2-one?
(4S)-1-ethyl-4-[[2-[3-(pyrazol-1-ylmethyl)phenyl]imidazol-1-yl]methyl]pyrrolidin-2-one has a molecular weight of 349.44 g/mol, XLogP of 2.66, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-ethyl-4-[[2-[3-(pyrazol-1-ylmethyl)phenyl]imidazol-1-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 95553395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).