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

C21H24N6O — CID 133283076

IUPAC1-[[3-[[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]methyl]phenyl]methyl]pyrrolidin-2-one
SMILESCc1cc(C)n(-c2cncc(NCc3cccc(CN4CCCC4=O)c3)n2)n1
InChIInChI=1S/C21H24N6O/c1-15-9-16(2)27(25-15)20-13-22-12-19(24-20)23-11-17-5-3-6-18(10-17)14-26-8-4-7-21(26)28/h3,5-6,9-10,12-13H,4,7-8,11,14H2,1-2H3,(H,23,24)
InChIKeyGZPIDUGWDCMXAN-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.01
Rot. Bonds6

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

1-[[3-[[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]methyl]phenyl]methyl]pyrrolidin-2-one (PubChem CID 133283076) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is 1-[[3-[[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]methyl]phenyl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[3-[[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]methyl]phenyl]methyl]pyrrolidin-2-one
PubChem CID133283076
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC Name1-[[3-[[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]methyl]phenyl]methyl]pyrrolidin-2-one
SMILESCc1cc(C)n(-c2cncc(NCc3cccc(CN4CCCC4=O)c3)n2)n1
InChIInChI=1S/C21H24N6O/c1-15-9-16(2)27(25-15)20-13-22-12-19(24-20)23-11-17-5-3-6-18(10-17)14-26-8-4-7-21(26)28/h3,5-6,9-10,12-13H,4,7-8,11,14H2,1-2H3,(H,23,24)
InChIKeyGZPIDUGWDCMXAN-UHFFFAOYSA-N
XLogP3.01
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

1-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea
CID 78890477
4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]-1-[(3-fluorophenyl)methyl]piperazin-2-one
CID 133353791
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]ethanone
CID 133284170
4,6-dimethyl-2-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylamino]pyridine-3-carbonitrile
CID 60502637
1-[3-[1-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]ethyl]phenyl]pyrrolidin-2-one
CID 133284309
N-(1,3-benzodioxol-4-ylmethyl)-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine
CID 133283965
4-[[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]methyl]-N,N-dimethylbenzenesulfonamide
CID 133283395
6-(3,5-dimethylpyrazol-1-yl)-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]pyrazin-2-amine
CID 133283698
N-benzyl-3-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]propanamide
CID 133284708
6-(3,5-dimethylpyrazol-1-yl)-N-[(5-methylthiophen-2-yl)methyl]pyrazin-2-amine
CID 133283429
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine
CID 166183273
2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]acetic acid
CID 122047288

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]methyl]phenyl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[3-[[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]methyl]phenyl]methyl]pyrrolidin-2-one (CID 133283076) is 1-[[3-[[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]methyl]phenyl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[3-[[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]methyl]phenyl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[3-[[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]methyl]phenyl]methyl]pyrrolidin-2-one is Cc1cc(C)n(-c2cncc(NCc3cccc(CN4CCCC4=O)c3)n2)n1.
What is the InChIKey of 1-[[3-[[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]methyl]phenyl]methyl]pyrrolidin-2-one?
The InChIKey is GZPIDUGWDCMXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O/c1-15-9-16(2)27(25-15)20-13-22-12-19(24-20)23-11-17-5-3-6-18(10-17)14-26-8-4-7-21(26)28/h3,5-6,9-10,12-13H,4,7-8,11,14H2,1-2H3,(H,23,24).
What are the key properties of 1-[[3-[[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]methyl]phenyl]methyl]pyrrolidin-2-one?
1-[[3-[[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]methyl]phenyl]methyl]pyrrolidin-2-one has a molecular weight of 376.46 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]methyl]phenyl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 133283076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).