2-chloro-3-(1,5-dimethylpyrazol-4-yl)pyrazine

C9H9ClN4 — CID 112559067

IUPAC2-chloro-3-(1,5-dimethylpyrazol-4-yl)pyrazine
SMILESCc1c(-c2nccnc2Cl)cnn1C
InChIInChI=1S/C9H9ClN4/c1-6-7(5-13-14(6)2)8-9(10)12-4-3-11-8/h3-5H,1-2H3
InChIKeyFCXOWAKKGWQBQS-UHFFFAOYSA-N
MW208.65 g/mol
LogP1.84
Rot. Bonds1

About 2-chloro-3-(1,5-dimethylpyrazol-4-yl)pyrazine

2-chloro-3-(1,5-dimethylpyrazol-4-yl)pyrazine (PubChem CID 112559067) has the molecular formula C9H9ClN4 and a molecular weight of 208.65 g/mol. Its IUPAC name is 2-chloro-3-(1,5-dimethylpyrazol-4-yl)pyrazine.

Molecular Properties

Compound Name2-chloro-3-(1,5-dimethylpyrazol-4-yl)pyrazine
PubChem CID112559067
Molecular FormulaC9H9ClN4
Molecular Weight208.65 g/mol
Exact Mass208.05
IUPAC Name2-chloro-3-(1,5-dimethylpyrazol-4-yl)pyrazine
SMILESCc1c(-c2nccnc2Cl)cnn1C
InChIInChI=1S/C9H9ClN4/c1-6-7(5-13-14(6)2)8-9(10)12-4-3-11-8/h3-5H,1-2H3
InChIKeyFCXOWAKKGWQBQS-UHFFFAOYSA-N
XLogP1.84
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.65
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1,5-dimethylpyrazol-4-yl)-N-methylpyrazin-2-amine
CID 112559210
2-(4-bromo-1-methylpyrazol-5-yl)-3-chloropyrazine
CID 130586537
5-chloro-3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole
CID 80646470
4-chloro-2-(1,5-dimethylpyrazol-4-yl)-6-methylpyrimidine
CID 79583994
2-(1,5-dimethylpyrazol-4-yl)-6-methylpyridin-3-amine;ethane
CID 169253840
3-(1,5-dimethylpyrazol-4-yl)-1,2,4-oxadiazole
CID 139378787
[2-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-5-yl]methanamine
CID 79584303
1-methyl-4-(3-methylpyrazin-2-yl)pyrazole-5-carboxylic acid
CID 90383381
5-(1,5-dimethylpyrazol-4-yl)-3-methyl-2-propan-2-ylimidazol-4-amine
CID 79583562
5-bromo-4-chloro-2-(1,5-dimethylpyrazol-4-yl)-6-propan-2-ylpyrimidine
CID 79584092
7-(1,5-dimethylpyrazol-4-yl)imidazo[1,2-b]pyridazine
CID 139378746
5-(1,5-dimethylpyrazol-4-yl)-3-prop-2-enylimidazol-4-amine
CID 79584687

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(1,5-dimethylpyrazol-4-yl)pyrazine?
The IUPAC name of 2-chloro-3-(1,5-dimethylpyrazol-4-yl)pyrazine (CID 112559067) is 2-chloro-3-(1,5-dimethylpyrazol-4-yl)pyrazine.
What is the SMILES notation for 2-chloro-3-(1,5-dimethylpyrazol-4-yl)pyrazine?
The canonical SMILES for 2-chloro-3-(1,5-dimethylpyrazol-4-yl)pyrazine is Cc1c(-c2nccnc2Cl)cnn1C.
What is the InChIKey of 2-chloro-3-(1,5-dimethylpyrazol-4-yl)pyrazine?
The InChIKey is FCXOWAKKGWQBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4/c1-6-7(5-13-14(6)2)8-9(10)12-4-3-11-8/h3-5H,1-2H3.
What are the key properties of 2-chloro-3-(1,5-dimethylpyrazol-4-yl)pyrazine?
2-chloro-3-(1,5-dimethylpyrazol-4-yl)pyrazine has a molecular weight of 208.65 g/mol, XLogP of 1.84, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(1,5-dimethylpyrazol-4-yl)pyrazine is sourced from PubChem (CID 112559067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).