4-(4-bromo-3,5-dimethylpyrazol-1-yl)-6-chloropyrimidine

C9H8BrClN4 — CID 62128744

IUPAC4-(4-bromo-3,5-dimethylpyrazol-1-yl)-6-chloropyrimidine
SMILESCc1nn(-c2cc(Cl)ncn2)c(C)c1Br
InChIInChI=1S/C9H8BrClN4/c1-5-9(10)6(2)15(14-5)8-3-7(11)12-4-13-8/h3-4H,1-2H3
InChIKeyLORLLPBLXAZPMG-UHFFFAOYSA-N
MW287.55 g/mol
LogP2.70
Rot. Bonds1

About 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-6-chloropyrimidine

4-(4-bromo-3,5-dimethylpyrazol-1-yl)-6-chloropyrimidine (PubChem CID 62128744) has the molecular formula C9H8BrClN4 and a molecular weight of 287.55 g/mol. Its IUPAC name is 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-6-chloropyrimidine.

Molecular Properties

Compound Name4-(4-bromo-3,5-dimethylpyrazol-1-yl)-6-chloropyrimidine
PubChem CID62128744
Molecular FormulaC9H8BrClN4
Molecular Weight287.55 g/mol
Exact Mass285.96
IUPAC Name4-(4-bromo-3,5-dimethylpyrazol-1-yl)-6-chloropyrimidine
SMILESCc1nn(-c2cc(Cl)ncn2)c(C)c1Br
InChIInChI=1S/C9H8BrClN4/c1-5-9(10)6(2)15(14-5)8-3-7(11)12-4-13-8/h3-4H,1-2H3
InChIKeyLORLLPBLXAZPMG-UHFFFAOYSA-N
XLogP2.70
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.55
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-6-chloropyrimidine?
The IUPAC name of 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-6-chloropyrimidine (CID 62128744) is 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-6-chloropyrimidine.
What is the SMILES notation for 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-6-chloropyrimidine?
The canonical SMILES for 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-6-chloropyrimidine is Cc1nn(-c2cc(Cl)ncn2)c(C)c1Br.
What is the InChIKey of 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-6-chloropyrimidine?
The InChIKey is LORLLPBLXAZPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrClN4/c1-5-9(10)6(2)15(14-5)8-3-7(11)12-4-13-8/h3-4H,1-2H3.
What are the key properties of 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-6-chloropyrimidine?
4-(4-bromo-3,5-dimethylpyrazol-1-yl)-6-chloropyrimidine has a molecular weight of 287.55 g/mol, XLogP of 2.70, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-6-chloropyrimidine is sourced from PubChem (CID 62128744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).