2-(4-bromopyrazol-1-yl)-5-methylpyrimidine

C8H7BrN4 — CID 63206200

IUPAC2-(4-bromopyrazol-1-yl)-5-methylpyrimidine
SMILESCc1cnc(-n2cc(Br)cn2)nc1
InChIInChI=1S/C8H7BrN4/c1-6-2-10-8(11-3-6)13-5-7(9)4-12-13/h2-5H,1H3
InChIKeyGGOADHKZQXCMSX-UHFFFAOYSA-N
MW239.08 g/mol
LogP1.73
Rot. Bonds1

About 2-(4-bromopyrazol-1-yl)-5-methylpyrimidine

2-(4-bromopyrazol-1-yl)-5-methylpyrimidine (PubChem CID 63206200) has the molecular formula C8H7BrN4 and a molecular weight of 239.08 g/mol. Its IUPAC name is 2-(4-bromopyrazol-1-yl)-5-methylpyrimidine.

Molecular Properties

Compound Name2-(4-bromopyrazol-1-yl)-5-methylpyrimidine
PubChem CID63206200
Molecular FormulaC8H7BrN4
Molecular Weight239.08 g/mol
Exact Mass237.99
IUPAC Name2-(4-bromopyrazol-1-yl)-5-methylpyrimidine
SMILESCc1cnc(-n2cc(Br)cn2)nc1
InChIInChI=1S/C8H7BrN4/c1-6-2-10-8(11-3-6)13-5-7(9)4-12-13/h2-5H,1H3
InChIKeyGGOADHKZQXCMSX-UHFFFAOYSA-N
XLogP1.73
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.08
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromopyrazol-1-yl)-5-methylpyrimidine?
The IUPAC name of 2-(4-bromopyrazol-1-yl)-5-methylpyrimidine (CID 63206200) is 2-(4-bromopyrazol-1-yl)-5-methylpyrimidine.
What is the SMILES notation for 2-(4-bromopyrazol-1-yl)-5-methylpyrimidine?
The canonical SMILES for 2-(4-bromopyrazol-1-yl)-5-methylpyrimidine is Cc1cnc(-n2cc(Br)cn2)nc1.
What is the InChIKey of 2-(4-bromopyrazol-1-yl)-5-methylpyrimidine?
The InChIKey is GGOADHKZQXCMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN4/c1-6-2-10-8(11-3-6)13-5-7(9)4-12-13/h2-5H,1H3.
What are the key properties of 2-(4-bromopyrazol-1-yl)-5-methylpyrimidine?
2-(4-bromopyrazol-1-yl)-5-methylpyrimidine has a molecular weight of 239.08 g/mol, XLogP of 1.73, 1 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)-5-methylpyrimidine is sourced from PubChem (CID 63206200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).