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

C14H19ClN4O — CID 127040731

IUPAC5-chloro-1-(2-methylpropyl)-6-propan-2-yl-3-pyrazol-1-ylpyrazin-2-one
SMILESCC(C)Cn1c(C(C)C)c(Cl)nc(-n2cccn2)c1=O
InChIInChI=1S/C14H19ClN4O/c1-9(2)8-18-11(10(3)4)12(15)17-13(14(18)20)19-7-5-6-16-19/h5-7,9-10H,8H2,1-4H3
InChIKeyRUCDZJIGTOBHMQ-UHFFFAOYSA-N
MW294.79 g/mol
LogP2.86
Rot. Bonds4

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

5-chloro-1-(2-methylpropyl)-6-propan-2-yl-3-pyrazol-1-ylpyrazin-2-one (PubChem CID 127040731) has the molecular formula C14H19ClN4O and a molecular weight of 294.79 g/mol. Its IUPAC name is 5-chloro-1-(2-methylpropyl)-6-propan-2-yl-3-pyrazol-1-ylpyrazin-2-one.

Molecular Properties

Compound Name5-chloro-1-(2-methylpropyl)-6-propan-2-yl-3-pyrazol-1-ylpyrazin-2-one
PubChem CID127040731
Molecular FormulaC14H19ClN4O
Molecular Weight294.79 g/mol
Exact Mass294.12
IUPAC Name5-chloro-1-(2-methylpropyl)-6-propan-2-yl-3-pyrazol-1-ylpyrazin-2-one
SMILESCC(C)Cn1c(C(C)C)c(Cl)nc(-n2cccn2)c1=O
InChIInChI=1S/C14H19ClN4O/c1-9(2)8-18-11(10(3)4)12(15)17-13(14(18)20)19-7-5-6-16-19/h5-7,9-10H,8H2,1-4H3
InChIKeyRUCDZJIGTOBHMQ-UHFFFAOYSA-N
XLogP2.86
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.79
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-chloro-1-(2-methylpropyl)-6-propan-2-yl-3-pyrazol-1-ylpyrazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(2-methylpropyl)-6-propan-2-yl-3-pyrazol-1-ylpyrazin-2-one?
The IUPAC name of 5-chloro-1-(2-methylpropyl)-6-propan-2-yl-3-pyrazol-1-ylpyrazin-2-one (CID 127040731) is 5-chloro-1-(2-methylpropyl)-6-propan-2-yl-3-pyrazol-1-ylpyrazin-2-one.
What is the SMILES notation for 5-chloro-1-(2-methylpropyl)-6-propan-2-yl-3-pyrazol-1-ylpyrazin-2-one?
The canonical SMILES for 5-chloro-1-(2-methylpropyl)-6-propan-2-yl-3-pyrazol-1-ylpyrazin-2-one is CC(C)Cn1c(C(C)C)c(Cl)nc(-n2cccn2)c1=O.
What is the InChIKey of 5-chloro-1-(2-methylpropyl)-6-propan-2-yl-3-pyrazol-1-ylpyrazin-2-one?
The InChIKey is RUCDZJIGTOBHMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4O/c1-9(2)8-18-11(10(3)4)12(15)17-13(14(18)20)19-7-5-6-16-19/h5-7,9-10H,8H2,1-4H3.
What are the key properties of 5-chloro-1-(2-methylpropyl)-6-propan-2-yl-3-pyrazol-1-ylpyrazin-2-one?
5-chloro-1-(2-methylpropyl)-6-propan-2-yl-3-pyrazol-1-ylpyrazin-2-one has a molecular weight of 294.79 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(2-methylpropyl)-6-propan-2-yl-3-pyrazol-1-ylpyrazin-2-one is sourced from PubChem (CID 127040731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).