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

C10H10BrClN4 — CID 107373610

IUPAC2-(4-bromo-3,5-dimethylpyrazol-1-yl)-5-(chloromethyl)pyrazine
SMILESCc1nn(-c2cnc(CCl)cn2)c(C)c1Br
InChIInChI=1S/C10H10BrClN4/c1-6-10(11)7(2)16(15-6)9-5-13-8(3-12)4-14-9/h4-5H,3H2,1-2H3
InChIKeyRKXDBNPBQHQHNQ-UHFFFAOYSA-N
MW301.58 g/mol
LogP2.78
Rot. Bonds2

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

2-(4-bromo-3,5-dimethylpyrazol-1-yl)-5-(chloromethyl)pyrazine (PubChem CID 107373610) has the molecular formula C10H10BrClN4 and a molecular weight of 301.58 g/mol. Its IUPAC name is 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-5-(chloromethyl)pyrazine.

Molecular Properties

Compound Name2-(4-bromo-3,5-dimethylpyrazol-1-yl)-5-(chloromethyl)pyrazine
PubChem CID107373610
Molecular FormulaC10H10BrClN4
Molecular Weight301.58 g/mol
Exact Mass299.98
IUPAC Name2-(4-bromo-3,5-dimethylpyrazol-1-yl)-5-(chloromethyl)pyrazine
SMILESCc1nn(-c2cnc(CCl)cn2)c(C)c1Br
InChIInChI=1S/C10H10BrClN4/c1-6-10(11)7(2)16(15-6)9-5-13-8(3-12)4-14-9/h4-5H,3H2,1-2H3
InChIKeyRKXDBNPBQHQHNQ-UHFFFAOYSA-N
XLogP2.78
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.58
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

[5-(4-bromo-3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]methanol
CID 107373030
[2-(4-bromo-3,5-dimethylpyrazol-1-yl)-5-chloro-4-pyridinyl]methanol
CID 114920544
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-5-methylpyridin-4-amine
CID 83265565
2-[6-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-pyridinyl]ethanamine
CID 80634768
[5-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methanamine
CID 115487122
4-(4-bromo-3,5-dimethylpyrazol-1-yl)-6-chloro-2-propylpyrimidine
CID 80945243
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-6-chloro-4-(trifluoromethyl)pyridine
CID 102716266
4-bromo-1-[5-chloro-2-(chloromethyl)phenyl]-3,5-dimethylpyrazole
CID 114846880
4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-chloro-5-methylpyridine
CID 83267145
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-4-chloro-5-(chloromethyl)-1,3-thiazole
CID 80687140
6-(4-bromo-3,5-dimethylpyrazol-1-yl)pyrimidine-2,4-diamine
CID 80856780
5-(4-bromo-3,5-dimethylpyrazol-1-yl)-1,2,4-thiadiazole
CID 65275161

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-5-(chloromethyl)pyrazine?
The IUPAC name of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-5-(chloromethyl)pyrazine (CID 107373610) is 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-5-(chloromethyl)pyrazine.
What is the SMILES notation for 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-5-(chloromethyl)pyrazine?
The canonical SMILES for 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-5-(chloromethyl)pyrazine is Cc1nn(-c2cnc(CCl)cn2)c(C)c1Br.
What is the InChIKey of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-5-(chloromethyl)pyrazine?
The InChIKey is RKXDBNPBQHQHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClN4/c1-6-10(11)7(2)16(15-6)9-5-13-8(3-12)4-14-9/h4-5H,3H2,1-2H3.
What are the key properties of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-5-(chloromethyl)pyrazine?
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-5-(chloromethyl)pyrazine has a molecular weight of 301.58 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-5-(chloromethyl)pyrazine is sourced from PubChem (CID 107373610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).