6-tert-butyl-5-chloro-1-(2-methylpropyl)-3-pyrazol-1-ylpyrazin-2-one

C15H21ClN4O — CID 127041063

IUPAC6-tert-butyl-5-chloro-1-(2-methylpropyl)-3-pyrazol-1-ylpyrazin-2-one
SMILESCC(C)Cn1c(C(C)(C)C)c(Cl)nc(-n2cccn2)c1=O
InChIInChI=1S/C15H21ClN4O/c1-10(2)9-19-11(15(3,4)5)12(16)18-13(14(19)21)20-8-6-7-17-20/h6-8,10H,9H2,1-5H3
InChIKeyMWJMPNXOGKVLCO-UHFFFAOYSA-N
MW308.81 g/mol
LogP3.04
Rot. Bonds3

About 6-tert-butyl-5-chloro-1-(2-methylpropyl)-3-pyrazol-1-ylpyrazin-2-one

6-tert-butyl-5-chloro-1-(2-methylpropyl)-3-pyrazol-1-ylpyrazin-2-one (PubChem CID 127041063) has the molecular formula C15H21ClN4O and a molecular weight of 308.81 g/mol. Its IUPAC name is 6-tert-butyl-5-chloro-1-(2-methylpropyl)-3-pyrazol-1-ylpyrazin-2-one.

Molecular Properties

Compound Name6-tert-butyl-5-chloro-1-(2-methylpropyl)-3-pyrazol-1-ylpyrazin-2-one
PubChem CID127041063
Molecular FormulaC15H21ClN4O
Molecular Weight308.81 g/mol
Exact Mass308.14
IUPAC Name6-tert-butyl-5-chloro-1-(2-methylpropyl)-3-pyrazol-1-ylpyrazin-2-one
SMILESCC(C)Cn1c(C(C)(C)C)c(Cl)nc(-n2cccn2)c1=O
InChIInChI=1S/C15H21ClN4O/c1-10(2)9-19-11(15(3,4)5)12(16)18-13(14(19)21)20-8-6-7-17-20/h6-8,10H,9H2,1-5H3
InChIKeyMWJMPNXOGKVLCO-UHFFFAOYSA-N
XLogP3.04
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-Chloro-6-cyclopentyl-1-(2-methylpropyl)-3-pyrazol-1-ylpyrazin-2-one
CID 127037994
5-Chloro-1-(2-methylpropyl)-6-propan-2-yl-3-pyrazol-1-ylpyrazin-2-one
CID 127040731
5-Chloro-6-cyclopropyl-1-(2-methylpropyl)-3-pyrazol-1-ylpyrazin-2-one
CID 127041176
5-Chloro-6-(1-methylpropyl)-1-(2-methylpropyl)-3-(1H-pyrazol-1-yl)-2(1H)-pyrazinone
CID 57432943
5-Chloro-6-methyl-1-(propan-2-ylamino)-3-pyrazol-1-ylpyrazin-2-one
CID 57787075
5-Chloro-1-ethyl-6-methyl-3-pyrazol-1-ylpyrazin-2-one
CID 57787078
1-Butyl-5-chloro-6-methyl-3-pyrazol-1-ylpyrazin-2-one
CID 57787080
5-Chloro-6-methyl-1-(2-methylbutyl)-3-pyrazol-1-ylpyrazin-2-one
CID 57787081
5-Chloro-1-ethyl-6-methyl-3-pyrazol-1-ylpyrazin-2-one;prop-1-ene
CID 91235915
1-Butyl-5-chloro-6-iodo-3-pyrazol-1-ylpyrazin-2-one
CID 140526638
5-Chloro-6-iodo-1-(2-methylbutyl)-3-pyrazol-1-ylpyrazin-2-one
CID 140526640
5-Chloro-1-ethyl-6-iodo-3-pyrazol-1-ylpyrazin-2-one
CID 145734170

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-5-chloro-1-(2-methylpropyl)-3-pyrazol-1-ylpyrazin-2-one?
The IUPAC name of 6-tert-butyl-5-chloro-1-(2-methylpropyl)-3-pyrazol-1-ylpyrazin-2-one (CID 127041063) is 6-tert-butyl-5-chloro-1-(2-methylpropyl)-3-pyrazol-1-ylpyrazin-2-one.
What is the SMILES notation for 6-tert-butyl-5-chloro-1-(2-methylpropyl)-3-pyrazol-1-ylpyrazin-2-one?
The canonical SMILES for 6-tert-butyl-5-chloro-1-(2-methylpropyl)-3-pyrazol-1-ylpyrazin-2-one is CC(C)Cn1c(C(C)(C)C)c(Cl)nc(-n2cccn2)c1=O.
What is the InChIKey of 6-tert-butyl-5-chloro-1-(2-methylpropyl)-3-pyrazol-1-ylpyrazin-2-one?
The InChIKey is MWJMPNXOGKVLCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4O/c1-10(2)9-19-11(15(3,4)5)12(16)18-13(14(19)21)20-8-6-7-17-20/h6-8,10H,9H2,1-5H3.
What are the key properties of 6-tert-butyl-5-chloro-1-(2-methylpropyl)-3-pyrazol-1-ylpyrazin-2-one?
6-tert-butyl-5-chloro-1-(2-methylpropyl)-3-pyrazol-1-ylpyrazin-2-one has a molecular weight of 308.81 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-5-chloro-1-(2-methylpropyl)-3-pyrazol-1-ylpyrazin-2-one is sourced from PubChem (CID 127041063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).