6-butan-2-yl-5-chloro-1-(2-methylpropyl)-3-pyrazol-1-ylpyrazin-2-one

C15H21ClN4O — CID 57432943

IUPAC6-butan-2-yl-5-chloro-1-(2-methylpropyl)-3-pyrazol-1-ylpyrazin-2-one
SMILESCCC(C)c1c(Cl)nc(-n2cccn2)c(=O)n1CC(C)C
InChIInChI=1S/C15H21ClN4O/c1-5-11(4)12-13(16)18-14(20-8-6-7-17-20)15(21)19(12)9-10(2)3/h6-8,10-11H,5,9H2,1-4H3
InChIKeyIYCNANGDOMMVFG-UHFFFAOYSA-N
MW308.81 g/mol
LogP3.25
Rot. Bonds5

About 6-butan-2-yl-5-chloro-1-(2-methylpropyl)-3-pyrazol-1-ylpyrazin-2-one

6-butan-2-yl-5-chloro-1-(2-methylpropyl)-3-pyrazol-1-ylpyrazin-2-one (PubChem CID 57432943) has the molecular formula C15H21ClN4O and a molecular weight of 308.81 g/mol. Its IUPAC name is 6-butan-2-yl-5-chloro-1-(2-methylpropyl)-3-pyrazol-1-ylpyrazin-2-one.

Molecular Properties

Compound Name6-butan-2-yl-5-chloro-1-(2-methylpropyl)-3-pyrazol-1-ylpyrazin-2-one
PubChem CID57432943
Molecular FormulaC15H21ClN4O
Molecular Weight308.81 g/mol
Exact Mass308.14
IUPAC Name6-butan-2-yl-5-chloro-1-(2-methylpropyl)-3-pyrazol-1-ylpyrazin-2-one
SMILESCCC(C)c1c(Cl)nc(-n2cccn2)c(=O)n1CC(C)C
InChIInChI=1S/C15H21ClN4O/c1-5-11(4)12-13(16)18-14(20-8-6-7-17-20)15(21)19(12)9-10(2)3/h6-8,10-11H,5,9H2,1-4H3
InChIKeyIYCNANGDOMMVFG-UHFFFAOYSA-N
XLogP3.25
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-butan-2-yl-5-chloro-1-(2-methylpropyl)-3-pyrazol-1-ylpyrazin-2-one?
The IUPAC name of 6-butan-2-yl-5-chloro-1-(2-methylpropyl)-3-pyrazol-1-ylpyrazin-2-one (CID 57432943) is 6-butan-2-yl-5-chloro-1-(2-methylpropyl)-3-pyrazol-1-ylpyrazin-2-one.
What is the SMILES notation for 6-butan-2-yl-5-chloro-1-(2-methylpropyl)-3-pyrazol-1-ylpyrazin-2-one?
The canonical SMILES for 6-butan-2-yl-5-chloro-1-(2-methylpropyl)-3-pyrazol-1-ylpyrazin-2-one is CCC(C)c1c(Cl)nc(-n2cccn2)c(=O)n1CC(C)C.
What is the InChIKey of 6-butan-2-yl-5-chloro-1-(2-methylpropyl)-3-pyrazol-1-ylpyrazin-2-one?
The InChIKey is IYCNANGDOMMVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4O/c1-5-11(4)12-13(16)18-14(20-8-6-7-17-20)15(21)19(12)9-10(2)3/h6-8,10-11H,5,9H2,1-4H3.
What are the key properties of 6-butan-2-yl-5-chloro-1-(2-methylpropyl)-3-pyrazol-1-ylpyrazin-2-one?
6-butan-2-yl-5-chloro-1-(2-methylpropyl)-3-pyrazol-1-ylpyrazin-2-one has a molecular weight of 308.81 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butan-2-yl-5-chloro-1-(2-methylpropyl)-3-pyrazol-1-ylpyrazin-2-one is sourced from PubChem (CID 57432943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).