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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Related Compounds

3-bromo-N-[(1R)-1-phenylethyl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 151211392
3-bromo-N-[1-(2-methylphenyl)propan-2-yl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 167811303
4-[(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]pentan-1-ol
CID 167974820
(2S)-2-N-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)-1-N-methyl-1-N-propan-2-ylpropane-1,2-diamine
CID 167915384
3-bromo-N-[1-(4-propan-2-ylphenyl)propan-2-yl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 167939194
3-bromo-N-(6-methylhept-5-en-2-yl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 167854146
1-[2-[(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]propyl]pyrrolidin-2-one
CID 167973333
3-bromo-N-methyl-N-[(1R)-1-phenylethyl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 138690062
4-[(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]-2-phenylbutan-2-ol
CID 167948226
3-bromo-N-[1-(2-methylphenyl)ethyl]pyridin-4-amine
CID 104776934
5-bromo-4-N-[1-(2-methylphenyl)ethyl]pyrimidine-2,4-diamine
CID 80801571
3-[(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]-2,3-dihydro-1H-inden-1-ol
CID 167986175

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).