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

C14H13BrN4 — CID 151211392

IUPAC3-bromo-N-[(1R)-1-phenylethyl]pyrazolo[1,5-a]pyrimidin-5-amine
SMILESC[C@@H](Nc1ccn2ncc(Br)c2n1)c1ccccc1
InChIInChI=1S/C14H13BrN4/c1-10(11-5-3-2-4-6-11)17-13-7-8-19-14(18-13)12(15)9-16-19/h2-10H,1H3,(H,17,18)/t10-/m1/s1
InChIKeyNKIYBEAFCOOVFQ-SNVBAGLBSA-N
MW317.19 g/mol
LogP3.66
Rot. Bonds3

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

3-bromo-N-[(1R)-1-phenylethyl]pyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 151211392) has the molecular formula C14H13BrN4 and a molecular weight of 317.19 g/mol. Its IUPAC name is 3-bromo-N-[(1R)-1-phenylethyl]pyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound Name3-bromo-N-[(1R)-1-phenylethyl]pyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID151211392
Molecular FormulaC14H13BrN4
Molecular Weight317.19 g/mol
Exact Mass316.03
IUPAC Name3-bromo-N-[(1R)-1-phenylethyl]pyrazolo[1,5-a]pyrimidin-5-amine
SMILESC[C@@H](Nc1ccn2ncc(Br)c2n1)c1ccccc1
InChIInChI=1S/C14H13BrN4/c1-10(11-5-3-2-4-6-11)17-13-7-8-19-14(18-13)12(15)9-16-19/h2-10H,1H3,(H,17,18)/t10-/m1/s1
InChIKeyNKIYBEAFCOOVFQ-SNVBAGLBSA-N
XLogP3.66
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.19
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-[(1R)-1-(2-methylphenyl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 167907324
3-bromo-N-[1-(2-methylphenyl)propan-2-yl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 167811303
3-bromo-N-[1-(4-propan-2-ylphenyl)propan-2-yl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 167939194
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-methyl-N-[(1R)-1-phenylethyl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 138690062
3-bromo-N-(6-methylhept-5-en-2-yl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 167854146
2-[(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]-N,N-dimethylpropane-1-sulfonamide
CID 167872990
(2S)-2-N-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)-1-N-ethyl-1-N-propylpropane-1,2-diamine
CID 167789562
5-[1-(3,5-difluorophenyl)ethylamino]-N-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063195
4-[(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]-2-phenylbutan-2-ol
CID 167948226
N-[1-(3,5-difluorophenyl)ethyl]-3-iodopyrazolo[1,5-a]pyrimidin-5-amine
CID 175003528

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(1R)-1-phenylethyl]pyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of 3-bromo-N-[(1R)-1-phenylethyl]pyrazolo[1,5-a]pyrimidin-5-amine (CID 151211392) is 3-bromo-N-[(1R)-1-phenylethyl]pyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for 3-bromo-N-[(1R)-1-phenylethyl]pyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for 3-bromo-N-[(1R)-1-phenylethyl]pyrazolo[1,5-a]pyrimidin-5-amine is C[C@@H](Nc1ccn2ncc(Br)c2n1)c1ccccc1.
What is the InChIKey of 3-bromo-N-[(1R)-1-phenylethyl]pyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is NKIYBEAFCOOVFQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H13BrN4/c1-10(11-5-3-2-4-6-11)17-13-7-8-19-14(18-13)12(15)9-16-19/h2-10H,1H3,(H,17,18)/t10-/m1/s1.
What are the key properties of 3-bromo-N-[(1R)-1-phenylethyl]pyrazolo[1,5-a]pyrimidin-5-amine?
3-bromo-N-[(1R)-1-phenylethyl]pyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 317.19 g/mol, XLogP of 3.66, 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-phenylethyl]pyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 151211392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).