3-bromo-N-methyl-N-[(1R)-1-phenylethyl]pyrazolo[1,5-a]pyrimidin-5-amine

C15H15BrN4 — CID 138690062

IUPAC3-bromo-N-methyl-N-[(1R)-1-phenylethyl]pyrazolo[1,5-a]pyrimidin-5-amine
SMILESC[C@H](c1ccccc1)N(C)c1ccn2ncc(Br)c2n1
InChIInChI=1S/C15H15BrN4/c1-11(12-6-4-3-5-7-12)19(2)14-8-9-20-15(18-14)13(16)10-17-20/h3-11H,1-2H3/t11-/m1/s1
InChIKeyNAVDYARPYQMJLC-LLVKDONJSA-N
MW331.22 g/mol
LogP3.69
Rot. Bonds3

About 3-bromo-N-methyl-N-[(1R)-1-phenylethyl]pyrazolo[1,5-a]pyrimidin-5-amine

3-bromo-N-methyl-N-[(1R)-1-phenylethyl]pyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 138690062) has the molecular formula C15H15BrN4 and a molecular weight of 331.22 g/mol. Its IUPAC name is 3-bromo-N-methyl-N-[(1R)-1-phenylethyl]pyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound Name3-bromo-N-methyl-N-[(1R)-1-phenylethyl]pyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID138690062
Molecular FormulaC15H15BrN4
Molecular Weight331.22 g/mol
Exact Mass330.05
IUPAC Name3-bromo-N-methyl-N-[(1R)-1-phenylethyl]pyrazolo[1,5-a]pyrimidin-5-amine
SMILESC[C@H](c1ccccc1)N(C)c1ccn2ncc(Br)c2n1
InChIInChI=1S/C15H15BrN4/c1-11(12-6-4-3-5-7-12)19(2)14-8-9-20-15(18-14)13(16)10-17-20/h3-11H,1-2H3/t11-/m1/s1
InChIKeyNAVDYARPYQMJLC-LLVKDONJSA-N
XLogP3.69
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.22
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-methyl-N-[(1R)-1-phenylethyl]pyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of 3-bromo-N-methyl-N-[(1R)-1-phenylethyl]pyrazolo[1,5-a]pyrimidin-5-amine (CID 138690062) is 3-bromo-N-methyl-N-[(1R)-1-phenylethyl]pyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for 3-bromo-N-methyl-N-[(1R)-1-phenylethyl]pyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for 3-bromo-N-methyl-N-[(1R)-1-phenylethyl]pyrazolo[1,5-a]pyrimidin-5-amine is C[C@H](c1ccccc1)N(C)c1ccn2ncc(Br)c2n1.
What is the InChIKey of 3-bromo-N-methyl-N-[(1R)-1-phenylethyl]pyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is NAVDYARPYQMJLC-LLVKDONJSA-N. The full InChI is InChI=1S/C15H15BrN4/c1-11(12-6-4-3-5-7-12)19(2)14-8-9-20-15(18-14)13(16)10-17-20/h3-11H,1-2H3/t11-/m1/s1.
What are the key properties of 3-bromo-N-methyl-N-[(1R)-1-phenylethyl]pyrazolo[1,5-a]pyrimidin-5-amine?
3-bromo-N-methyl-N-[(1R)-1-phenylethyl]pyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 331.22 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-methyl-N-[(1R)-1-phenylethyl]pyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 138690062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).