3-bromo-2-ethyl-6-propan-2-ylpyrazolo[1,5-a]pyrimidine

C11H14BrN3 — CID 83920294

IUPAC3-bromo-2-ethyl-6-propan-2-ylpyrazolo[1,5-a]pyrimidine
SMILESCCc1nn2cc(C(C)C)cnc2c1Br
InChIInChI=1S/C11H14BrN3/c1-4-9-10(12)11-13-5-8(7(2)3)6-15(11)14-9/h5-7H,4H2,1-3H3
InChIKeyFBTSSGASYLKNBP-UHFFFAOYSA-N
MW268.16 g/mol
LogP3.18
Rot. Bonds2

About 3-bromo-2-ethyl-6-propan-2-ylpyrazolo[1,5-a]pyrimidine

3-bromo-2-ethyl-6-propan-2-ylpyrazolo[1,5-a]pyrimidine (PubChem CID 83920294) has the molecular formula C11H14BrN3 and a molecular weight of 268.16 g/mol. Its IUPAC name is 3-bromo-2-ethyl-6-propan-2-ylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-bromo-2-ethyl-6-propan-2-ylpyrazolo[1,5-a]pyrimidine
PubChem CID83920294
Molecular FormulaC11H14BrN3
Molecular Weight268.16 g/mol
Exact Mass267.04
IUPAC Name3-bromo-2-ethyl-6-propan-2-ylpyrazolo[1,5-a]pyrimidine
SMILESCCc1nn2cc(C(C)C)cnc2c1Br
InChIInChI=1S/C11H14BrN3/c1-4-9-10(12)11-13-5-8(7(2)3)6-15(11)14-9/h5-7H,4H2,1-3H3
InChIKeyFBTSSGASYLKNBP-UHFFFAOYSA-N
XLogP3.18
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.16
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-2-ethylpyrazolo[1,5-a]pyrimidin-6-amine
CID 83669783
3-bromo-2-chloro-6-ethylpyrazolo[1,5-a]pyrimidine
CID 84710228
6-propan-2-yltriazolo[1,5-a]pyrimidine-3-carbaldehyde
CID 105444107
2-fluoro-6-propan-2-ylpyrazolo[1,5-a]pyrimidine
CID 145436390
8-ethyl-6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine
CID 174345641
3-chloro-2-ethyl-5-propan-2-ylpyridine;ethane
CID 142611311
2-(6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanamine
CID 84673413
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-(6-methyl-3-pyridinyl)ethanamine
CID 105157592
2-(6-propan-2-ylpyrazolo[1,5-a]pyrimidin-2-yl)acetic acid
CID 84684657
[2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(6-methyl-3-pyridinyl)ethyl]hydrazine
CID 105318849
ethyl 3-bromo-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 131389867
6-cyclobutyl-2-ethylpyrazolo[1,5-a]pyrimidin-3-amine
CID 115029744

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-ethyl-6-propan-2-ylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-bromo-2-ethyl-6-propan-2-ylpyrazolo[1,5-a]pyrimidine (CID 83920294) is 3-bromo-2-ethyl-6-propan-2-ylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-bromo-2-ethyl-6-propan-2-ylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-bromo-2-ethyl-6-propan-2-ylpyrazolo[1,5-a]pyrimidine is CCc1nn2cc(C(C)C)cnc2c1Br.
What is the InChIKey of 3-bromo-2-ethyl-6-propan-2-ylpyrazolo[1,5-a]pyrimidine?
The InChIKey is FBTSSGASYLKNBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3/c1-4-9-10(12)11-13-5-8(7(2)3)6-15(11)14-9/h5-7H,4H2,1-3H3.
What are the key properties of 3-bromo-2-ethyl-6-propan-2-ylpyrazolo[1,5-a]pyrimidine?
3-bromo-2-ethyl-6-propan-2-ylpyrazolo[1,5-a]pyrimidine has a molecular weight of 268.16 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-ethyl-6-propan-2-ylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 83920294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).