1-methyl-6-[(3-pyrazol-1-ylpyrrolidin-1-yl)methyl]pyrazin-2-one

C13H17N5O — CID 126946527

IUPAC1-methyl-6-[(3-pyrazol-1-ylpyrrolidin-1-yl)methyl]pyrazin-2-one
SMILESCn1c(CN2CCC(n3cccn3)C2)cncc1=O
InChIInChI=1S/C13H17N5O/c1-16-12(7-14-8-13(16)19)10-17-6-3-11(9-17)18-5-2-4-15-18/h2,4-5,7-8,11H,3,6,9-10H2,1H3
InChIKeyFGCOONHDJIUCDJ-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.42
Rot. Bonds3

About 1-methyl-6-[(3-pyrazol-1-ylpyrrolidin-1-yl)methyl]pyrazin-2-one

1-methyl-6-[(3-pyrazol-1-ylpyrrolidin-1-yl)methyl]pyrazin-2-one (PubChem CID 126946527) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-methyl-6-[(3-pyrazol-1-ylpyrrolidin-1-yl)methyl]pyrazin-2-one.

Molecular Properties

Compound Name1-methyl-6-[(3-pyrazol-1-ylpyrrolidin-1-yl)methyl]pyrazin-2-one
PubChem CID126946527
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name1-methyl-6-[(3-pyrazol-1-ylpyrrolidin-1-yl)methyl]pyrazin-2-one
SMILESCn1c(CN2CCC(n3cccn3)C2)cncc1=O
InChIInChI=1S/C13H17N5O/c1-16-12(7-14-8-13(16)19)10-17-6-3-11(9-17)18-5-2-4-15-18/h2,4-5,7-8,11H,3,6,9-10H2,1H3
InChIKeyFGCOONHDJIUCDJ-UHFFFAOYSA-N
XLogP0.42
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-methyl-6-[(3-pyrazol-1-ylpyrrolidin-1-yl)methyl]pyrazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-5-[(3-pyrazol-1-ylpyrrolidin-1-yl)methyl]pyrimidine
CID 126946539
1-cyclopropyl-5-[(3-pyrazol-1-ylazetidin-1-yl)methyl]imidazole
CID 126900325
4-[2-(3-pyrazol-1-ylpyrrolidin-1-yl)ethyl]morpholine
CID 126946440
1-(1-prop-2-enylpyrrolidin-3-yl)pyrazole
CID 130778362
2-methyl-3-[(3-pyrazol-1-ylpyrrolidin-1-yl)methyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole
CID 126946702
3-methyl-6-(3-pyrazol-1-ylpyrrolidin-1-yl)-1H-pyrimidine-2,4-dione
CID 126946488
2-methyl-4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]triazole
CID 126900246
1-[1-(oxan-4-ylmethyl)pyrrolidin-3-yl]pyrazole
CID 126946622
2-[(3-pyrazol-1-ylpyrrolidin-1-yl)methyl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
CID 126946513
3-[(3-pyrazol-1-ylpyrrolidin-1-yl)methyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 126946565
1-methyl-6-[[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]pyrazin-2-one
CID 126952577
3-[(3-pyrazol-1-ylpyrrolidin-1-yl)methyl]-4,5,6,7-tetrahydro-1H-indazole
CID 126946602

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-[(3-pyrazol-1-ylpyrrolidin-1-yl)methyl]pyrazin-2-one?
The IUPAC name of 1-methyl-6-[(3-pyrazol-1-ylpyrrolidin-1-yl)methyl]pyrazin-2-one (CID 126946527) is 1-methyl-6-[(3-pyrazol-1-ylpyrrolidin-1-yl)methyl]pyrazin-2-one.
What is the SMILES notation for 1-methyl-6-[(3-pyrazol-1-ylpyrrolidin-1-yl)methyl]pyrazin-2-one?
The canonical SMILES for 1-methyl-6-[(3-pyrazol-1-ylpyrrolidin-1-yl)methyl]pyrazin-2-one is Cn1c(CN2CCC(n3cccn3)C2)cncc1=O.
What is the InChIKey of 1-methyl-6-[(3-pyrazol-1-ylpyrrolidin-1-yl)methyl]pyrazin-2-one?
The InChIKey is FGCOONHDJIUCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-16-12(7-14-8-13(16)19)10-17-6-3-11(9-17)18-5-2-4-15-18/h2,4-5,7-8,11H,3,6,9-10H2,1H3.
What are the key properties of 1-methyl-6-[(3-pyrazol-1-ylpyrrolidin-1-yl)methyl]pyrazin-2-one?
1-methyl-6-[(3-pyrazol-1-ylpyrrolidin-1-yl)methyl]pyrazin-2-one has a molecular weight of 259.31 g/mol, XLogP of 0.42, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-[(3-pyrazol-1-ylpyrrolidin-1-yl)methyl]pyrazin-2-one is sourced from PubChem (CID 126946527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).