3-bromo-N-[(1R)-1-(2-methylphenyl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine

C15H15BrN4 — CID 167907324

IUPAC3-bromo-N-[(1R)-1-(2-methylphenyl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine
SMILESCc1ccccc1[C@@H](C)Nc1ccn2ncc(Br)c2n1
InChIInChI=1S/C15H15BrN4/c1-10-5-3-4-6-12(10)11(2)18-14-7-8-20-15(19-14)13(16)9-17-20/h3-9,11H,1-2H3,(H,18,19)/t11-/m1/s1
InChIKeyIYHJZGIZSVZGLK-LLVKDONJSA-N
MW331.22 g/mol
LogP3.97
Rot. Bonds3

About 3-bromo-N-[(1R)-1-(2-methylphenyl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine

3-bromo-N-[(1R)-1-(2-methylphenyl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 167907324) has the molecular formula C15H15BrN4 and a molecular weight of 331.22 g/mol. Its IUPAC name is 3-bromo-N-[(1R)-1-(2-methylphenyl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound Name3-bromo-N-[(1R)-1-(2-methylphenyl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID167907324
Molecular FormulaC15H15BrN4
Molecular Weight331.22 g/mol
Exact Mass330.05
IUPAC Name3-bromo-N-[(1R)-1-(2-methylphenyl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine
SMILESCc1ccccc1[C@@H](C)Nc1ccn2ncc(Br)c2n1
InChIInChI=1S/C15H15BrN4/c1-10-5-3-4-6-12(10)11(2)18-14-7-8-20-15(19-14)13(16)9-17-20/h3-9,11H,1-2H3,(H,18,19)/t11-/m1/s1
InChIKeyIYHJZGIZSVZGLK-LLVKDONJSA-N
XLogP3.97
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.22
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(1R)-1-(2-methylphenyl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of 3-bromo-N-[(1R)-1-(2-methylphenyl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine (CID 167907324) is 3-bromo-N-[(1R)-1-(2-methylphenyl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for 3-bromo-N-[(1R)-1-(2-methylphenyl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for 3-bromo-N-[(1R)-1-(2-methylphenyl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine is Cc1ccccc1[C@@H](C)Nc1ccn2ncc(Br)c2n1.
What is the InChIKey of 3-bromo-N-[(1R)-1-(2-methylphenyl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is IYHJZGIZSVZGLK-LLVKDONJSA-N. The full InChI is InChI=1S/C15H15BrN4/c1-10-5-3-4-6-12(10)11(2)18-14-7-8-20-15(19-14)13(16)9-17-20/h3-9,11H,1-2H3,(H,18,19)/t11-/m1/s1.
What are the key properties of 3-bromo-N-[(1R)-1-(2-methylphenyl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine?
3-bromo-N-[(1R)-1-(2-methylphenyl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 331.22 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(1R)-1-(2-methylphenyl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 167907324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).