3-bromo-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-amine

C9H11BrN4 — CID 16666505

IUPAC3-bromo-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1c(C)nc2c(Br)cnn2c1N
InChIInChI=1S/C9H11BrN4/c1-3-6-5(2)13-9-7(10)4-12-14(9)8(6)11/h4H,3,11H2,1-2H3
InChIKeyZONJWDXNZZASHJ-UHFFFAOYSA-N
MW255.12 g/mol
LogP1.94
Rot. Bonds1

About 3-bromo-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-amine

3-bromo-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 16666505) has the molecular formula C9H11BrN4 and a molecular weight of 255.12 g/mol. Its IUPAC name is 3-bromo-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-bromo-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID16666505
Molecular FormulaC9H11BrN4
Molecular Weight255.12 g/mol
Exact Mass254.02
IUPAC Name3-bromo-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1c(C)nc2c(Br)cnn2c1N
InChIInChI=1S/C9H11BrN4/c1-3-6-5(2)13-9-7(10)4-12-14(9)8(6)11/h4H,3,11H2,1-2H3
InChIKeyZONJWDXNZZASHJ-UHFFFAOYSA-N
XLogP1.94
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.12
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-bromo-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-amine (CID 16666505) is 3-bromo-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-bromo-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-bromo-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-amine is CCc1c(C)nc2c(Br)cnn2c1N.
What is the InChIKey of 3-bromo-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is ZONJWDXNZZASHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN4/c1-3-6-5(2)13-9-7(10)4-12-14(9)8(6)11/h4H,3,11H2,1-2H3.
What are the key properties of 3-bromo-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-amine?
3-bromo-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 255.12 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 16666505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).