1-[3-[1-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]ethyl]phenyl]pyrrolidin-2-one

C21H24N6O — CID 133284309

IUPAC1-[3-[1-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]ethyl]phenyl]pyrrolidin-2-one
SMILESCc1cc(C)n(-c2cncc(NC(C)c3cccc(N4CCCC4=O)c3)n2)n1
InChIInChI=1S/C21H24N6O/c1-14-10-15(2)27(25-14)20-13-22-12-19(24-20)23-16(3)17-6-4-7-18(11-17)26-9-5-8-21(26)28/h4,6-7,10-13,16H,5,8-9H2,1-3H3,(H,23,24)
InChIKeyIPBSYVDYHZRDBH-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.58
Rot. Bonds5

About 1-[3-[1-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]ethyl]phenyl]pyrrolidin-2-one

1-[3-[1-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]ethyl]phenyl]pyrrolidin-2-one (PubChem CID 133284309) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is 1-[3-[1-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]ethyl]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[1-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]ethyl]phenyl]pyrrolidin-2-one
PubChem CID133284309
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC Name1-[3-[1-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]ethyl]phenyl]pyrrolidin-2-one
SMILESCc1cc(C)n(-c2cncc(NC(C)c3cccc(N4CCCC4=O)c3)n2)n1
InChIInChI=1S/C21H24N6O/c1-14-10-15(2)27(25-14)20-13-22-12-19(24-20)23-16(3)17-6-4-7-18(11-17)26-9-5-8-21(26)28/h4,6-7,10-13,16H,5,8-9H2,1-3H3,(H,23,24)
InChIKeyIPBSYVDYHZRDBH-UHFFFAOYSA-N
XLogP3.58
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[3-[1-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]ethyl]phenyl]pyrrolidin-2-one with MolForge

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Related Compounds

6-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethylamino]pyridine-2-carboxylic acid
CID 122053307
6-(3,5-dimethylpyrazol-1-yl)-N-[1-(4-methylsulfonylphenyl)ethyl]pyrazin-2-amine
CID 133273936
6-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-phenylpiperazin-1-yl)propyl]pyrazin-2-amine
CID 133283125
1-[[3-[[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]methyl]phenyl]methyl]pyrrolidin-2-one
CID 133283076
6-(3,5-dimethylpyrazol-1-yl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]pyrazin-2-amine
CID 133283269
(2S)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]propanoic acid
CID 122049461
6-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-methylpiperazin-1-yl)propyl]pyrazin-2-amine
CID 56788053
1-[4-[[(1R)-1-(3-methylphenyl)ethyl]amino]phenyl]pyrrolidin-2-one
CID 100660181
6-(3,5-dimethylpyrazol-1-yl)-N-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyrazin-2-amine
CID 133346267
2-amino-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]-2-phenylacetamide
CID 119307558
1-[3-[1-[(1-methylpyrazol-4-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one
CID 60614108
1-[3-[(1S)-1-(cyclohexylmethylamino)ethyl]phenyl]pyrrolidin-2-one
CID 124692957

Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]ethyl]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[1-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]ethyl]phenyl]pyrrolidin-2-one (CID 133284309) is 1-[3-[1-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]ethyl]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[1-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]ethyl]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[1-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]ethyl]phenyl]pyrrolidin-2-one is Cc1cc(C)n(-c2cncc(NC(C)c3cccc(N4CCCC4=O)c3)n2)n1.
What is the InChIKey of 1-[3-[1-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]ethyl]phenyl]pyrrolidin-2-one?
The InChIKey is IPBSYVDYHZRDBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O/c1-14-10-15(2)27(25-14)20-13-22-12-19(24-20)23-16(3)17-6-4-7-18(11-17)26-9-5-8-21(26)28/h4,6-7,10-13,16H,5,8-9H2,1-3H3,(H,23,24).
What are the key properties of 1-[3-[1-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]ethyl]phenyl]pyrrolidin-2-one?
1-[3-[1-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]ethyl]phenyl]pyrrolidin-2-one has a molecular weight of 376.46 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[1-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]ethyl]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 133284309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).