2-(3-tert-butyl-1-methylpyrazol-4-yl)-3-chloropyrazine

C12H15ClN4 — CID 112559047

IUPAC2-(3-tert-butyl-1-methylpyrazol-4-yl)-3-chloropyrazine
SMILESCn1cc(-c2nccnc2Cl)c(C(C)(C)C)n1
InChIInChI=1S/C12H15ClN4/c1-12(2,3)10-8(7-17(4)16-10)9-11(13)15-6-5-14-9/h5-7H,1-4H3
InChIKeyROVOXZXNYVKFJZ-UHFFFAOYSA-N
MW250.73 g/mol
LogP2.83
Rot. Bonds1

About 2-(3-tert-butyl-1-methylpyrazol-4-yl)-3-chloropyrazine

2-(3-tert-butyl-1-methylpyrazol-4-yl)-3-chloropyrazine (PubChem CID 112559047) has the molecular formula C12H15ClN4 and a molecular weight of 250.73 g/mol. Its IUPAC name is 2-(3-tert-butyl-1-methylpyrazol-4-yl)-3-chloropyrazine.

Molecular Properties

Compound Name2-(3-tert-butyl-1-methylpyrazol-4-yl)-3-chloropyrazine
PubChem CID112559047
Molecular FormulaC12H15ClN4
Molecular Weight250.73 g/mol
Exact Mass250.10
IUPAC Name2-(3-tert-butyl-1-methylpyrazol-4-yl)-3-chloropyrazine
SMILESCn1cc(-c2nccnc2Cl)c(C(C)(C)C)n1
InChIInChI=1S/C12H15ClN4/c1-12(2,3)10-8(7-17(4)16-10)9-11(13)15-6-5-14-9/h5-7H,1-4H3
InChIKeyROVOXZXNYVKFJZ-UHFFFAOYSA-N
XLogP2.83
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-tert-butyl-1-methylpyrazol-4-yl)-N-propylpyrazin-2-amine
CID 115914364
3-tert-butyl-4-chloro-1-methylpyrazole
CID 58331974
5-bromo-2-(3-tert-butyl-1-methylpyrazol-4-yl)-4,6-dichloropyrimidine
CID 83091448
3-tert-butyl-1-methyl-4-(4-methylphenyl)pyrazole
CID 58157464
4-(3-tert-butyl-1-methylpyrazol-4-yl)-3-chlorobenzaldehyde
CID 114076972
N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-2-chloropyridin-4-amine
CID 83089816
5-(3-tert-butyl-1-methylpyrazol-4-yl)-3-prop-2-ynylimidazol-4-amine
CID 83091694
3-(3-tert-butyl-1-methylpyrazol-4-yl)aniline
CID 66020404
[2-(3-tert-butyl-1-methylpyrazol-4-yl)-5-chlorophenyl]methanamine
CID 66155515
2-(3-tert-butyl-1-methylpyrazol-4-yl)-6-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-amine
CID 83094948
1-[2-(3-tert-butyl-1-methylpyrazol-4-yl)-5-chlorophenyl]-N-methylmethanamine
CID 66155715
5-(3-tert-butyl-1-methylpyrazol-4-yl)pyridine-2-carboxylic acid
CID 66022465

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butyl-1-methylpyrazol-4-yl)-3-chloropyrazine?
The IUPAC name of 2-(3-tert-butyl-1-methylpyrazol-4-yl)-3-chloropyrazine (CID 112559047) is 2-(3-tert-butyl-1-methylpyrazol-4-yl)-3-chloropyrazine.
What is the SMILES notation for 2-(3-tert-butyl-1-methylpyrazol-4-yl)-3-chloropyrazine?
The canonical SMILES for 2-(3-tert-butyl-1-methylpyrazol-4-yl)-3-chloropyrazine is Cn1cc(-c2nccnc2Cl)c(C(C)(C)C)n1.
What is the InChIKey of 2-(3-tert-butyl-1-methylpyrazol-4-yl)-3-chloropyrazine?
The InChIKey is ROVOXZXNYVKFJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4/c1-12(2,3)10-8(7-17(4)16-10)9-11(13)15-6-5-14-9/h5-7H,1-4H3.
What are the key properties of 2-(3-tert-butyl-1-methylpyrazol-4-yl)-3-chloropyrazine?
2-(3-tert-butyl-1-methylpyrazol-4-yl)-3-chloropyrazine has a molecular weight of 250.73 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butyl-1-methylpyrazol-4-yl)-3-chloropyrazine is sourced from PubChem (CID 112559047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).