7-bromo-3-methylpyrazolo[1,5-a]pyrimidine

C7H6BrN3 — CID 133059303

IUPAC7-bromo-3-methylpyrazolo[1,5-a]pyrimidine
SMILESCc1cnn2c(Br)ccnc12
InChIInChI=1S/C7H6BrN3/c1-5-4-10-11-6(8)2-3-9-7(5)11/h2-4H,1H3
InChIKeyZIEBRMPJKJGQHF-UHFFFAOYSA-N
MW212.05 g/mol
LogP1.80
Rot. Bonds

About 7-bromo-3-methylpyrazolo[1,5-a]pyrimidine

7-bromo-3-methylpyrazolo[1,5-a]pyrimidine (PubChem CID 133059303) has the molecular formula C7H6BrN3 and a molecular weight of 212.05 g/mol. Its IUPAC name is 7-bromo-3-methylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-bromo-3-methylpyrazolo[1,5-a]pyrimidine
PubChem CID133059303
Molecular FormulaC7H6BrN3
Molecular Weight212.05 g/mol
Exact Mass210.97
IUPAC Name7-bromo-3-methylpyrazolo[1,5-a]pyrimidine
SMILESCc1cnn2c(Br)ccnc12
InChIInChI=1S/C7H6BrN3/c1-5-4-10-11-6(8)2-3-9-7(5)11/h2-4H,1H3
InChIKeyZIEBRMPJKJGQHF-UHFFFAOYSA-N
XLogP1.80
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.05
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-bromo-3-chloropyrazolo[1,5-a]pyrimidine
CID 119081602
ethane;3-methyl-7-methylsulfanylpyrazolo[1,5-a]pyrimidine
CID 143656235
7-cyclopropyl-3-methylpyrazolo[1,5-a]pyrimidine;ethane
CID 156823373
8-methyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one
CID 135741979
3-methyl-N-[(2Z)-2-(methylideneamino)penta-2,4-dienyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 143406596
5-[[(3-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyrazole-3-carboxylic acid
CID 166272427
3,5,7-trimethylpyrazolo[1,5-a]pyrimidine
CID 18684975
7-methoxy-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine
CID 13465938
ethane;1-ethyl-4-methylpyrazolo[3,4-b]pyridine
CID 162761081
7-chloro-3-iodopyrazolo[1,5-a]pyrimidine
CID 118669321
3-bromo-7-(2,4,6-trifluorophenyl)pyrazolo[1,5-a]pyrimidine
CID 146674023
3,7-dimethylpyrazolo[1,5-a]pyridine
CID 142528331

Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-methylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-bromo-3-methylpyrazolo[1,5-a]pyrimidine (CID 133059303) is 7-bromo-3-methylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-bromo-3-methylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-bromo-3-methylpyrazolo[1,5-a]pyrimidine is Cc1cnn2c(Br)ccnc12.
What is the InChIKey of 7-bromo-3-methylpyrazolo[1,5-a]pyrimidine?
The InChIKey is ZIEBRMPJKJGQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrN3/c1-5-4-10-11-6(8)2-3-9-7(5)11/h2-4H,1H3.
What are the key properties of 7-bromo-3-methylpyrazolo[1,5-a]pyrimidine?
7-bromo-3-methylpyrazolo[1,5-a]pyrimidine has a molecular weight of 212.05 g/mol, XLogP of 1.80, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-methylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 133059303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).