2-(4-bromopyrazol-1-yl)quinazoline

C11H7BrN4 — CID 114789584

IUPAC2-(4-bromopyrazol-1-yl)quinazoline
SMILESBrc1cnn(-c2ncc3ccccc3n2)c1
InChIInChI=1S/C11H7BrN4/c12-9-6-14-16(7-9)11-13-5-8-3-1-2-4-10(8)15-11/h1-7H
InChIKeyVMKNUPLAVZQEDT-UHFFFAOYSA-N
MW275.11 g/mol
LogP2.58
Rot. Bonds1

About 2-(4-bromopyrazol-1-yl)quinazoline

2-(4-bromopyrazol-1-yl)quinazoline (PubChem CID 114789584) has the molecular formula C11H7BrN4 and a molecular weight of 275.11 g/mol. Its IUPAC name is 2-(4-bromopyrazol-1-yl)quinazoline.

Molecular Properties

Compound Name2-(4-bromopyrazol-1-yl)quinazoline
PubChem CID114789584
Molecular FormulaC11H7BrN4
Molecular Weight275.11 g/mol
Exact Mass273.99
IUPAC Name2-(4-bromopyrazol-1-yl)quinazoline
SMILESBrc1cnn(-c2ncc3ccccc3n2)c1
InChIInChI=1S/C11H7BrN4/c12-9-6-14-16(7-9)11-13-5-8-3-1-2-4-10(8)15-11/h1-7H
InChIKeyVMKNUPLAVZQEDT-UHFFFAOYSA-N
XLogP2.58
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.11
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-quinazolin-2-ylpyrazole-4-carboxylic acid
CID 114789671
2-(4-bromopyrazol-1-yl)-5-methylpyrimidine
CID 63206200
4-(4-bromopyrazol-1-yl)quinoline
CID 61339389
1-quinazolin-2-ylpyrazole-3-carboxylic acid
CID 114789673
[2-(4-bromopyrazol-1-yl)quinolin-4-yl]methanol
CID 61255216
2-(4-bromopyrazol-1-yl)quinoline-4-carboxylic acid
CID 54909506
4-bromo-1-(4-bromophenyl)pyrazole
CID 15940041
N-[[2-(4-bromopyrazol-1-yl)-4-methylpyrimidin-5-yl]methyl]ethanamine
CID 83189565
N-[[2-(4-bromopyrazol-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine
CID 83189716
4-(4-bromopyrazol-1-yl)-N,N-dimethylpyrimidin-2-amine
CID 64831077
2-(3,5-dimethylpiperazin-1-yl)quinazoline
CID 22636321
2-(1-quinazolin-2-ylpiperidin-4-yl)ethanamine
CID 114789468

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromopyrazol-1-yl)quinazoline?
The IUPAC name of 2-(4-bromopyrazol-1-yl)quinazoline (CID 114789584) is 2-(4-bromopyrazol-1-yl)quinazoline.
What is the SMILES notation for 2-(4-bromopyrazol-1-yl)quinazoline?
The canonical SMILES for 2-(4-bromopyrazol-1-yl)quinazoline is Brc1cnn(-c2ncc3ccccc3n2)c1.
What is the InChIKey of 2-(4-bromopyrazol-1-yl)quinazoline?
The InChIKey is VMKNUPLAVZQEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrN4/c12-9-6-14-16(7-9)11-13-5-8-3-1-2-4-10(8)15-11/h1-7H.
What are the key properties of 2-(4-bromopyrazol-1-yl)quinazoline?
2-(4-bromopyrazol-1-yl)quinazoline has a molecular weight of 275.11 g/mol, XLogP of 2.58, 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)quinazoline is sourced from PubChem (CID 114789584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).