1-cyclopropyl-3-(3,5-dimethylpyrazol-1-yl)pyrazin-2-one

C12H14N4O — CID 63811320

IUPAC1-cyclopropyl-3-(3,5-dimethylpyrazol-1-yl)pyrazin-2-one
SMILESCc1cc(C)n(-c2nccn(C3CC3)c2=O)n1
InChIInChI=1S/C12H14N4O/c1-8-7-9(2)16(14-8)11-12(17)15(6-5-13-11)10-3-4-10/h5-7,10H,3-4H2,1-2H3
InChIKeyAVOPKFMHNJCSJP-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.38
Rot. Bonds2

About 1-cyclopropyl-3-(3,5-dimethylpyrazol-1-yl)pyrazin-2-one

1-cyclopropyl-3-(3,5-dimethylpyrazol-1-yl)pyrazin-2-one (PubChem CID 63811320) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 1-cyclopropyl-3-(3,5-dimethylpyrazol-1-yl)pyrazin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3-(3,5-dimethylpyrazol-1-yl)pyrazin-2-one
PubChem CID63811320
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name1-cyclopropyl-3-(3,5-dimethylpyrazol-1-yl)pyrazin-2-one
SMILESCc1cc(C)n(-c2nccn(C3CC3)c2=O)n1
InChIInChI=1S/C12H14N4O/c1-8-7-9(2)16(14-8)11-12(17)15(6-5-13-11)10-3-4-10/h5-7,10H,3-4H2,1-2H3
InChIKeyAVOPKFMHNJCSJP-UHFFFAOYSA-N
XLogP1.38
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1-cyclopropylpyrazin-2-one
CID 55220023
3-(4-bromopiperidin-1-yl)-1-cyclopropylpyrazin-2-one
CID 80674441
3-(3-bromo-8-azabicyclo[3.2.1]octan-8-yl)-1-cyclopropylpyrazin-2-one
CID 80666853
4-[2-[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]imidazol-1-yl]thiane 1,1-dioxide
CID 154817593
3-[3-(1-aminoethyl)pyrrolidin-1-yl]-1-cyclopropylpyrazin-2-one
CID 113360798
1-cyclopropyl-3-[3-(methylamino)piperidin-1-yl]pyrazin-2-one
CID 62929719
1-cyclopropyl-3-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]pyrazin-2-one
CID 126910396
3,5-dimethyl-1-[3-[1-(oxan-4-yl)imidazol-2-yl]phenyl]pyrazole;formic acid
CID 163333857
3-(5-amino-1,3-dihydroisoindol-2-yl)-1-cyclopropylpyrazin-2-one
CID 66000514
1-cyclopropyl-3-(3,3-dimethylpiperazin-1-yl)pyrazin-2-one
CID 82996710
3-[4-(2-aminoethyl)piperidin-1-yl]-1-cyclopropylpyrazin-2-one
CID 62928895
3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-1-cyclopropylpyrazin-2-one
CID 154580769

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(3,5-dimethylpyrazol-1-yl)pyrazin-2-one?
The IUPAC name of 1-cyclopropyl-3-(3,5-dimethylpyrazol-1-yl)pyrazin-2-one (CID 63811320) is 1-cyclopropyl-3-(3,5-dimethylpyrazol-1-yl)pyrazin-2-one.
What is the SMILES notation for 1-cyclopropyl-3-(3,5-dimethylpyrazol-1-yl)pyrazin-2-one?
The canonical SMILES for 1-cyclopropyl-3-(3,5-dimethylpyrazol-1-yl)pyrazin-2-one is Cc1cc(C)n(-c2nccn(C3CC3)c2=O)n1.
What is the InChIKey of 1-cyclopropyl-3-(3,5-dimethylpyrazol-1-yl)pyrazin-2-one?
The InChIKey is AVOPKFMHNJCSJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-8-7-9(2)16(14-8)11-12(17)15(6-5-13-11)10-3-4-10/h5-7,10H,3-4H2,1-2H3.
What are the key properties of 1-cyclopropyl-3-(3,5-dimethylpyrazol-1-yl)pyrazin-2-one?
1-cyclopropyl-3-(3,5-dimethylpyrazol-1-yl)pyrazin-2-one has a molecular weight of 230.27 g/mol, XLogP of 1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(3,5-dimethylpyrazol-1-yl)pyrazin-2-one is sourced from PubChem (CID 63811320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).