2-[(4-bromopyrazol-1-yl)methyl]-5-chloropyrazine

C8H6BrClN4 — CID 103054509

IUPAC2-[(4-bromopyrazol-1-yl)methyl]-5-chloropyrazine
SMILESClc1cnc(Cn2cc(Br)cn2)cn1
InChIInChI=1S/C8H6BrClN4/c9-6-1-13-14(4-6)5-7-2-12-8(10)3-11-7/h1-4H,5H2
InChIKeyYWUVLIMWKRTANL-UHFFFAOYSA-N
MW273.52 g/mol
LogP2.14
Rot. Bonds2

About 2-[(4-bromopyrazol-1-yl)methyl]-5-chloropyrazine

2-[(4-bromopyrazol-1-yl)methyl]-5-chloropyrazine (PubChem CID 103054509) has the molecular formula C8H6BrClN4 and a molecular weight of 273.52 g/mol. Its IUPAC name is 2-[(4-bromopyrazol-1-yl)methyl]-5-chloropyrazine.

Molecular Properties

Compound Name2-[(4-bromopyrazol-1-yl)methyl]-5-chloropyrazine
PubChem CID103054509
Molecular FormulaC8H6BrClN4
Molecular Weight273.52 g/mol
Exact Mass271.95
IUPAC Name2-[(4-bromopyrazol-1-yl)methyl]-5-chloropyrazine
SMILESClc1cnc(Cn2cc(Br)cn2)cn1
InChIInChI=1S/C8H6BrClN4/c9-6-1-13-14(4-6)5-7-2-12-8(10)3-11-7/h1-4H,5H2
InChIKeyYWUVLIMWKRTANL-UHFFFAOYSA-N
XLogP2.14
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.52
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-[(4-chloropyrazol-1-yl)methyl]pyridine
CID 104809162
4-bromo-1-(3-chloropropyl)pyrazole
CID 61036423
[6-[(4-bromopyrazol-1-yl)methyl]-2-pyridinyl]methanamine
CID 106907410
2-[(4-bromopyrazol-1-yl)methyl]-5-chloro-1,3,4-thiadiazole
CID 80610694
2-[(4-bromopyrazol-1-yl)methyl]-6-methylpyridine
CID 79260621
1-benzyl-2-[(4-bromopyrazol-1-yl)methyl]imidazole
CID 71986363
5-bromo-2-[2-(4-bromopyrazol-1-yl)ethyl]pyridine
CID 164645104
2-[(4-bromopyrazol-1-yl)methyl]-4-(chloromethyl)-1,3-thiazole
CID 61035022
5-bromo-2-[(4-methylpyrazol-1-yl)methyl]pyridine
CID 104809156
[3-[(4-bromopyrazol-1-yl)methyl]-2-pyridinyl]methanamine
CID 62895020
1-[(5-bromo-2-pyridinyl)methyl]pyrazole-4-sulfonyl chloride
CID 104808098
4-[(4-bromopyrazol-1-yl)methyl]-5-methyl-1,2-oxazole
CID 130703277

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromopyrazol-1-yl)methyl]-5-chloropyrazine?
The IUPAC name of 2-[(4-bromopyrazol-1-yl)methyl]-5-chloropyrazine (CID 103054509) is 2-[(4-bromopyrazol-1-yl)methyl]-5-chloropyrazine.
What is the SMILES notation for 2-[(4-bromopyrazol-1-yl)methyl]-5-chloropyrazine?
The canonical SMILES for 2-[(4-bromopyrazol-1-yl)methyl]-5-chloropyrazine is Clc1cnc(Cn2cc(Br)cn2)cn1.
What is the InChIKey of 2-[(4-bromopyrazol-1-yl)methyl]-5-chloropyrazine?
The InChIKey is YWUVLIMWKRTANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrClN4/c9-6-1-13-14(4-6)5-7-2-12-8(10)3-11-7/h1-4H,5H2.
What are the key properties of 2-[(4-bromopyrazol-1-yl)methyl]-5-chloropyrazine?
2-[(4-bromopyrazol-1-yl)methyl]-5-chloropyrazine has a molecular weight of 273.52 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromopyrazol-1-yl)methyl]-5-chloropyrazine is sourced from PubChem (CID 103054509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).