4-(3-bromopyrazol-1-yl)-5-methoxypyrimidine

C8H7BrN4O — CID 131207504

IUPAC4-(3-bromopyrazol-1-yl)-5-methoxypyrimidine
SMILESCOc1cncnc1-n1ccc(Br)n1
InChIInChI=1S/C8H7BrN4O/c1-14-6-4-10-5-11-8(6)13-3-2-7(9)12-13/h2-5H,1H3
InChIKeyZQABKVWSCGGFHB-UHFFFAOYSA-N
MW255.08 g/mol
LogP1.43
Rot. Bonds2

About 4-(3-bromopyrazol-1-yl)-5-methoxypyrimidine

4-(3-bromopyrazol-1-yl)-5-methoxypyrimidine (PubChem CID 131207504) has the molecular formula C8H7BrN4O and a molecular weight of 255.08 g/mol. Its IUPAC name is 4-(3-bromopyrazol-1-yl)-5-methoxypyrimidine.

Molecular Properties

Compound Name4-(3-bromopyrazol-1-yl)-5-methoxypyrimidine
PubChem CID131207504
Molecular FormulaC8H7BrN4O
Molecular Weight255.08 g/mol
Exact Mass253.98
IUPAC Name4-(3-bromopyrazol-1-yl)-5-methoxypyrimidine
SMILESCOc1cncnc1-n1ccc(Br)n1
InChIInChI=1S/C8H7BrN4O/c1-14-6-4-10-5-11-8(6)13-3-2-7(9)12-13/h2-5H,1H3
InChIKeyZQABKVWSCGGFHB-UHFFFAOYSA-N
XLogP1.43
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.08
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-bromopyrazol-1-yl)-5-methoxypyrimidine?
The IUPAC name of 4-(3-bromopyrazol-1-yl)-5-methoxypyrimidine (CID 131207504) is 4-(3-bromopyrazol-1-yl)-5-methoxypyrimidine.
What is the SMILES notation for 4-(3-bromopyrazol-1-yl)-5-methoxypyrimidine?
The canonical SMILES for 4-(3-bromopyrazol-1-yl)-5-methoxypyrimidine is COc1cncnc1-n1ccc(Br)n1.
What is the InChIKey of 4-(3-bromopyrazol-1-yl)-5-methoxypyrimidine?
The InChIKey is ZQABKVWSCGGFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN4O/c1-14-6-4-10-5-11-8(6)13-3-2-7(9)12-13/h2-5H,1H3.
What are the key properties of 4-(3-bromopyrazol-1-yl)-5-methoxypyrimidine?
4-(3-bromopyrazol-1-yl)-5-methoxypyrimidine has a molecular weight of 255.08 g/mol, XLogP of 1.43, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromopyrazol-1-yl)-5-methoxypyrimidine is sourced from PubChem (CID 131207504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).