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

C14H17ClN4O — CID 127041176

IUPAC5-chloro-6-cyclopropyl-1-(2-methylpropyl)-3-pyrazol-1-ylpyrazin-2-one
SMILESCC(C)Cn1c(C2CC2)c(Cl)nc(-n2cccn2)c1=O
InChIInChI=1S/C14H17ClN4O/c1-9(2)8-18-11(10-4-5-10)12(15)17-13(14(18)20)19-7-3-6-16-19/h3,6-7,9-10H,4-5,8H2,1-2H3
InChIKeyJQPICWWHKCGNNY-UHFFFAOYSA-N
MW292.77 g/mol
LogP2.62
Rot. Bonds4

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

5-chloro-6-cyclopropyl-1-(2-methylpropyl)-3-pyrazol-1-ylpyrazin-2-one (PubChem CID 127041176) has the molecular formula C14H17ClN4O and a molecular weight of 292.77 g/mol. Its IUPAC name is 5-chloro-6-cyclopropyl-1-(2-methylpropyl)-3-pyrazol-1-ylpyrazin-2-one.

Molecular Properties

Compound Name5-chloro-6-cyclopropyl-1-(2-methylpropyl)-3-pyrazol-1-ylpyrazin-2-one
PubChem CID127041176
Molecular FormulaC14H17ClN4O
Molecular Weight292.77 g/mol
Exact Mass292.11
IUPAC Name5-chloro-6-cyclopropyl-1-(2-methylpropyl)-3-pyrazol-1-ylpyrazin-2-one
SMILESCC(C)Cn1c(C2CC2)c(Cl)nc(-n2cccn2)c1=O
InChIInChI=1S/C14H17ClN4O/c1-9(2)8-18-11(10-4-5-10)12(15)17-13(14(18)20)19-7-3-6-16-19/h3,6-7,9-10H,4-5,8H2,1-2H3
InChIKeyJQPICWWHKCGNNY-UHFFFAOYSA-N
XLogP2.62
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-cyclopropyl-1-(2-methylpropyl)-3-pyrazol-1-ylpyrazin-2-one?
The IUPAC name of 5-chloro-6-cyclopropyl-1-(2-methylpropyl)-3-pyrazol-1-ylpyrazin-2-one (CID 127041176) is 5-chloro-6-cyclopropyl-1-(2-methylpropyl)-3-pyrazol-1-ylpyrazin-2-one.
What is the SMILES notation for 5-chloro-6-cyclopropyl-1-(2-methylpropyl)-3-pyrazol-1-ylpyrazin-2-one?
The canonical SMILES for 5-chloro-6-cyclopropyl-1-(2-methylpropyl)-3-pyrazol-1-ylpyrazin-2-one is CC(C)Cn1c(C2CC2)c(Cl)nc(-n2cccn2)c1=O.
What is the InChIKey of 5-chloro-6-cyclopropyl-1-(2-methylpropyl)-3-pyrazol-1-ylpyrazin-2-one?
The InChIKey is JQPICWWHKCGNNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O/c1-9(2)8-18-11(10-4-5-10)12(15)17-13(14(18)20)19-7-3-6-16-19/h3,6-7,9-10H,4-5,8H2,1-2H3.
What are the key properties of 5-chloro-6-cyclopropyl-1-(2-methylpropyl)-3-pyrazol-1-ylpyrazin-2-one?
5-chloro-6-cyclopropyl-1-(2-methylpropyl)-3-pyrazol-1-ylpyrazin-2-one has a molecular weight of 292.77 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-cyclopropyl-1-(2-methylpropyl)-3-pyrazol-1-ylpyrazin-2-one is sourced from PubChem (CID 127041176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).