4-(4-bromopyrazol-1-yl)pyrimidine

C7H5BrN4 — CID 61254322

IUPAC4-(4-bromopyrazol-1-yl)pyrimidine
SMILESBrc1cnn(-c2ccncn2)c1
InChIInChI=1S/C7H5BrN4/c8-6-3-11-12(4-6)7-1-2-9-5-10-7/h1-5H
InChIKeyZRLMNBQRJUGUDW-UHFFFAOYSA-N
MW225.05 g/mol
LogP1.42
Rot. Bonds1

About 4-(4-bromopyrazol-1-yl)pyrimidine

4-(4-bromopyrazol-1-yl)pyrimidine (PubChem CID 61254322) has the molecular formula C7H5BrN4 and a molecular weight of 225.05 g/mol. Its IUPAC name is 4-(4-bromopyrazol-1-yl)pyrimidine.

Molecular Properties

Compound Name4-(4-bromopyrazol-1-yl)pyrimidine
PubChem CID61254322
Molecular FormulaC7H5BrN4
Molecular Weight225.05 g/mol
Exact Mass223.97
IUPAC Name4-(4-bromopyrazol-1-yl)pyrimidine
SMILESBrc1cnn(-c2ccncn2)c1
InChIInChI=1S/C7H5BrN4/c8-6-3-11-12(4-6)7-1-2-9-5-10-7/h1-5H
InChIKeyZRLMNBQRJUGUDW-UHFFFAOYSA-N
XLogP1.42
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.05
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Taminadenant
CID 53466958
1,2,4-Triazolo(1,5-a)pyrimidine
CID 636456
Pyrazolo(1,5-a)pyrimidine
CID 11636795
Pyrimidine, 4,6-bis(1H-pyrazol-1-yl)-
CID 3087487
1,2,4-Triazolo(1,5-c)pyrimidine
CID 12318765
[1,2,4]Triazolo[1,5-a]pyrimidin-2-amine
CID 3161243
3-Bromopyrazolo(1,5-a)pyrimidine
CID 12203208
6-Bromo-[1,2,4]triazolo[1,5-a]pyrimidine
CID 15866980
5-Bromo-2-pyrazol-1-yl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 53466961
5-bromo-4-N-cyclopentyl-2-pyrazol-1-ylpyrimidine-4,6-diamine
CID 53466962
5-Bromo-6-piperidin-1-yl-2-pyrazol-1-ylpyrimidin-4-amine
CID 53467179
5-bromo-4-N-cyclopropyl-2-pyrazol-1-ylpyrimidine-4,6-diamine
CID 53467182

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromopyrazol-1-yl)pyrimidine?
The IUPAC name of 4-(4-bromopyrazol-1-yl)pyrimidine (CID 61254322) is 4-(4-bromopyrazol-1-yl)pyrimidine.
What is the SMILES notation for 4-(4-bromopyrazol-1-yl)pyrimidine?
The canonical SMILES for 4-(4-bromopyrazol-1-yl)pyrimidine is Brc1cnn(-c2ccncn2)c1.
What is the InChIKey of 4-(4-bromopyrazol-1-yl)pyrimidine?
The InChIKey is ZRLMNBQRJUGUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrN4/c8-6-3-11-12(4-6)7-1-2-9-5-10-7/h1-5H.
What are the key properties of 4-(4-bromopyrazol-1-yl)pyrimidine?
4-(4-bromopyrazol-1-yl)pyrimidine has a molecular weight of 225.05 g/mol, XLogP of 1.42, 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)pyrimidine is sourced from PubChem (CID 61254322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).