6-bromo-4-(1H-pyrazol-4-yl)quinazoline

C11H7BrN4 — CID 22031074

IUPAC6-bromo-4-(1H-pyrazol-4-yl)quinazoline
SMILESBrc1ccc2ncnc(-c3cn[nH]c3)c2c1
InChIInChI=1S/C11H7BrN4/c12-8-1-2-10-9(3-8)11(14-6-13-10)7-4-15-16-5-7/h1-6H,(H,15,16)
InChIKeyFNVZUGMZJMDKHO-UHFFFAOYSA-N
MW275.11 g/mol
LogP2.78
Rot. Bonds1

About 6-bromo-4-(1H-pyrazol-4-yl)quinazoline

6-bromo-4-(1H-pyrazol-4-yl)quinazoline (PubChem CID 22031074) has the molecular formula C11H7BrN4 and a molecular weight of 275.11 g/mol. Its IUPAC name is 6-bromo-4-(1H-pyrazol-4-yl)quinazoline.

Molecular Properties

Compound Name6-bromo-4-(1H-pyrazol-4-yl)quinazoline
PubChem CID22031074
Molecular FormulaC11H7BrN4
Molecular Weight275.11 g/mol
Exact Mass273.99
IUPAC Name6-bromo-4-(1H-pyrazol-4-yl)quinazoline
SMILESBrc1ccc2ncnc(-c3cn[nH]c3)c2c1
InChIInChI=1S/C11H7BrN4/c12-8-1-2-10-9(3-8)11(14-6-13-10)7-4-15-16-5-7/h1-6H,(H,15,16)
InChIKeyFNVZUGMZJMDKHO-UHFFFAOYSA-N
XLogP2.78
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.11
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-bromo-4-(1H-pyrazol-4-yl)quinazoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-(1H-pyrazol-4-yl)quinazoline?
The IUPAC name of 6-bromo-4-(1H-pyrazol-4-yl)quinazoline (CID 22031074) is 6-bromo-4-(1H-pyrazol-4-yl)quinazoline.
What is the SMILES notation for 6-bromo-4-(1H-pyrazol-4-yl)quinazoline?
The canonical SMILES for 6-bromo-4-(1H-pyrazol-4-yl)quinazoline is Brc1ccc2ncnc(-c3cn[nH]c3)c2c1.
What is the InChIKey of 6-bromo-4-(1H-pyrazol-4-yl)quinazoline?
The InChIKey is FNVZUGMZJMDKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrN4/c12-8-1-2-10-9(3-8)11(14-6-13-10)7-4-15-16-5-7/h1-6H,(H,15,16).
What are the key properties of 6-bromo-4-(1H-pyrazol-4-yl)quinazoline?
6-bromo-4-(1H-pyrazol-4-yl)quinazoline has a molecular weight of 275.11 g/mol, XLogP of 2.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-(1H-pyrazol-4-yl)quinazoline is sourced from PubChem (CID 22031074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).