4-(4-bromopyrazol-1-yl)-2,5-dichloropyrimidine

C7H3BrCl2N4 — CID 79633246

IUPAC4-(4-bromopyrazol-1-yl)-2,5-dichloropyrimidine
SMILESClc1ncc(Cl)c(-n2cc(Br)cn2)n1
InChIInChI=1S/C7H3BrCl2N4/c8-4-1-12-14(3-4)6-5(9)2-11-7(10)13-6/h1-3H
InChIKeyXHVCOOBAKUDESH-UHFFFAOYSA-N
MW293.94 g/mol
LogP2.73
Rot. Bonds1

About 4-(4-bromopyrazol-1-yl)-2,5-dichloropyrimidine

4-(4-bromopyrazol-1-yl)-2,5-dichloropyrimidine (PubChem CID 79633246) has the molecular formula C7H3BrCl2N4 and a molecular weight of 293.94 g/mol. Its IUPAC name is 4-(4-bromopyrazol-1-yl)-2,5-dichloropyrimidine.

Molecular Properties

Compound Name4-(4-bromopyrazol-1-yl)-2,5-dichloropyrimidine
PubChem CID79633246
Molecular FormulaC7H3BrCl2N4
Molecular Weight293.94 g/mol
Exact Mass291.89
IUPAC Name4-(4-bromopyrazol-1-yl)-2,5-dichloropyrimidine
SMILESClc1ncc(Cl)c(-n2cc(Br)cn2)n1
InChIInChI=1S/C7H3BrCl2N4/c8-4-1-12-14(3-4)6-5(9)2-11-7(10)13-6/h1-3H
InChIKeyXHVCOOBAKUDESH-UHFFFAOYSA-N
XLogP2.73
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.94
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromopyrazol-1-yl)-2,5-dichloropyrimidine?
The IUPAC name of 4-(4-bromopyrazol-1-yl)-2,5-dichloropyrimidine (CID 79633246) is 4-(4-bromopyrazol-1-yl)-2,5-dichloropyrimidine.
What is the SMILES notation for 4-(4-bromopyrazol-1-yl)-2,5-dichloropyrimidine?
The canonical SMILES for 4-(4-bromopyrazol-1-yl)-2,5-dichloropyrimidine is Clc1ncc(Cl)c(-n2cc(Br)cn2)n1.
What is the InChIKey of 4-(4-bromopyrazol-1-yl)-2,5-dichloropyrimidine?
The InChIKey is XHVCOOBAKUDESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrCl2N4/c8-4-1-12-14(3-4)6-5(9)2-11-7(10)13-6/h1-3H.
What are the key properties of 4-(4-bromopyrazol-1-yl)-2,5-dichloropyrimidine?
4-(4-bromopyrazol-1-yl)-2,5-dichloropyrimidine has a molecular weight of 293.94 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromopyrazol-1-yl)-2,5-dichloropyrimidine is sourced from PubChem (CID 79633246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).