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

C16H21ClN4O — CID 127037994

IUPAC5-chloro-6-cyclopentyl-1-(2-methylpropyl)-3-pyrazol-1-ylpyrazin-2-one
SMILESCC(C)Cn1c(C2CCCC2)c(Cl)nc(-n2cccn2)c1=O
InChIInChI=1S/C16H21ClN4O/c1-11(2)10-20-13(12-6-3-4-7-12)14(17)19-15(16(20)22)21-9-5-8-18-21/h5,8-9,11-12H,3-4,6-7,10H2,1-2H3
InChIKeyJDTLVUPHXKOAPR-UHFFFAOYSA-N
MW320.82 g/mol
LogP3.40
Rot. Bonds4

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

5-chloro-6-cyclopentyl-1-(2-methylpropyl)-3-pyrazol-1-ylpyrazin-2-one (PubChem CID 127037994) has the molecular formula C16H21ClN4O and a molecular weight of 320.82 g/mol. Its IUPAC name is 5-chloro-6-cyclopentyl-1-(2-methylpropyl)-3-pyrazol-1-ylpyrazin-2-one.

Molecular Properties

Compound Name5-chloro-6-cyclopentyl-1-(2-methylpropyl)-3-pyrazol-1-ylpyrazin-2-one
PubChem CID127037994
Molecular FormulaC16H21ClN4O
Molecular Weight320.82 g/mol
Exact Mass320.14
IUPAC Name5-chloro-6-cyclopentyl-1-(2-methylpropyl)-3-pyrazol-1-ylpyrazin-2-one
SMILESCC(C)Cn1c(C2CCCC2)c(Cl)nc(-n2cccn2)c1=O
InChIInChI=1S/C16H21ClN4O/c1-11(2)10-20-13(12-6-3-4-7-12)14(17)19-15(16(20)22)21-9-5-8-18-21/h5,8-9,11-12H,3-4,6-7,10H2,1-2H3
InChIKeyJDTLVUPHXKOAPR-UHFFFAOYSA-N
XLogP3.40
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.82
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-cyclopentyl-1-(2-methylpropyl)-3-pyrazol-1-ylpyrazin-2-one?
The IUPAC name of 5-chloro-6-cyclopentyl-1-(2-methylpropyl)-3-pyrazol-1-ylpyrazin-2-one (CID 127037994) is 5-chloro-6-cyclopentyl-1-(2-methylpropyl)-3-pyrazol-1-ylpyrazin-2-one.
What is the SMILES notation for 5-chloro-6-cyclopentyl-1-(2-methylpropyl)-3-pyrazol-1-ylpyrazin-2-one?
The canonical SMILES for 5-chloro-6-cyclopentyl-1-(2-methylpropyl)-3-pyrazol-1-ylpyrazin-2-one is CC(C)Cn1c(C2CCCC2)c(Cl)nc(-n2cccn2)c1=O.
What is the InChIKey of 5-chloro-6-cyclopentyl-1-(2-methylpropyl)-3-pyrazol-1-ylpyrazin-2-one?
The InChIKey is JDTLVUPHXKOAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN4O/c1-11(2)10-20-13(12-6-3-4-7-12)14(17)19-15(16(20)22)21-9-5-8-18-21/h5,8-9,11-12H,3-4,6-7,10H2,1-2H3.
What are the key properties of 5-chloro-6-cyclopentyl-1-(2-methylpropyl)-3-pyrazol-1-ylpyrazin-2-one?
5-chloro-6-cyclopentyl-1-(2-methylpropyl)-3-pyrazol-1-ylpyrazin-2-one has a molecular weight of 320.82 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-cyclopentyl-1-(2-methylpropyl)-3-pyrazol-1-ylpyrazin-2-one is sourced from PubChem (CID 127037994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).