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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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).