2-(1-propan-2-ylpyrazol-3-yl)-1-pyrazin-2-ylethanone

C12H14N4O — CID 64770824

IUPAC2-(1-propan-2-ylpyrazol-3-yl)-1-pyrazin-2-ylethanone
SMILESCC(C)n1ccc(CC(=O)c2cnccn2)n1
InChIInChI=1S/C12H14N4O/c1-9(2)16-6-3-10(15-16)7-12(17)11-8-13-4-5-14-11/h3-6,8-9H,7H2,1-2H3
InChIKeyCKSDQFGMYNIOGB-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.68
Rot. Bonds4

About 2-(1-propan-2-ylpyrazol-3-yl)-1-pyrazin-2-ylethanone

2-(1-propan-2-ylpyrazol-3-yl)-1-pyrazin-2-ylethanone (PubChem CID 64770824) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 2-(1-propan-2-ylpyrazol-3-yl)-1-pyrazin-2-ylethanone.

Molecular Properties

Compound Name2-(1-propan-2-ylpyrazol-3-yl)-1-pyrazin-2-ylethanone
PubChem CID64770824
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name2-(1-propan-2-ylpyrazol-3-yl)-1-pyrazin-2-ylethanone
SMILESCC(C)n1ccc(CC(=O)c2cnccn2)n1
InChIInChI=1S/C12H14N4O/c1-9(2)16-6-3-10(15-16)7-12(17)11-8-13-4-5-14-11/h3-6,8-9H,7H2,1-2H3
InChIKeyCKSDQFGMYNIOGB-UHFFFAOYSA-N
XLogP1.68
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-propan-2-ylpyrazol-3-yl)-1-pyrazin-2-ylethanone?
The IUPAC name of 2-(1-propan-2-ylpyrazol-3-yl)-1-pyrazin-2-ylethanone (CID 64770824) is 2-(1-propan-2-ylpyrazol-3-yl)-1-pyrazin-2-ylethanone.
What is the SMILES notation for 2-(1-propan-2-ylpyrazol-3-yl)-1-pyrazin-2-ylethanone?
The canonical SMILES for 2-(1-propan-2-ylpyrazol-3-yl)-1-pyrazin-2-ylethanone is CC(C)n1ccc(CC(=O)c2cnccn2)n1.
What is the InChIKey of 2-(1-propan-2-ylpyrazol-3-yl)-1-pyrazin-2-ylethanone?
The InChIKey is CKSDQFGMYNIOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-9(2)16-6-3-10(15-16)7-12(17)11-8-13-4-5-14-11/h3-6,8-9H,7H2,1-2H3.
What are the key properties of 2-(1-propan-2-ylpyrazol-3-yl)-1-pyrazin-2-ylethanone?
2-(1-propan-2-ylpyrazol-3-yl)-1-pyrazin-2-ylethanone has a molecular weight of 230.27 g/mol, XLogP of 1.68, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-propan-2-ylpyrazol-3-yl)-1-pyrazin-2-ylethanone is sourced from PubChem (CID 64770824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).