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

C16H17BrN4 — CID 167811303

IUPAC3-bromo-N-[1-(2-methylphenyl)propan-2-yl]pyrazolo[1,5-a]pyrimidin-5-amine
SMILESCc1ccccc1CC(C)Nc1ccn2ncc(Br)c2n1
InChIInChI=1S/C16H17BrN4/c1-11-5-3-4-6-13(11)9-12(2)19-15-7-8-21-16(20-15)14(17)10-18-21/h3-8,10,12H,9H2,1-2H3,(H,19,20)
InChIKeyDIMADEZYQQXGQT-UHFFFAOYSA-N
MW345.24 g/mol
LogP3.84
Rot. Bonds4

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

3-bromo-N-[1-(2-methylphenyl)propan-2-yl]pyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 167811303) has the molecular formula C16H17BrN4 and a molecular weight of 345.24 g/mol. Its IUPAC name is 3-bromo-N-[1-(2-methylphenyl)propan-2-yl]pyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound Name3-bromo-N-[1-(2-methylphenyl)propan-2-yl]pyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID167811303
Molecular FormulaC16H17BrN4
Molecular Weight345.24 g/mol
Exact Mass344.06
IUPAC Name3-bromo-N-[1-(2-methylphenyl)propan-2-yl]pyrazolo[1,5-a]pyrimidin-5-amine
SMILESCc1ccccc1CC(C)Nc1ccn2ncc(Br)c2n1
InChIInChI=1S/C16H17BrN4/c1-11-5-3-4-6-13(11)9-12(2)19-15-7-8-21-16(20-15)14(17)10-18-21/h3-8,10,12H,9H2,1-2H3,(H,19,20)
InChIKeyDIMADEZYQQXGQT-UHFFFAOYSA-N
XLogP3.84
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.24
LogP ≤ 53.84
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-(4-propan-2-ylphenyl)propan-2-yl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 167939194
3-bromo-N-[(1R)-1-phenylethyl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 151211392
(2S)-2-N-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)-1-N-methyl-1-N-propan-2-ylpropane-1,2-diamine
CID 167915384
(2S)-2-N-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)-1-N-ethyl-1-N-propylpropane-1,2-diamine
CID 167789562
3-bromo-N-(6-methylhept-5-en-2-yl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 167854146
ethyl 2-benzyl-3-[(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]propanoate
CID 167837407
4-[(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]-2-phenylbutan-2-ol
CID 167948226
2-[[(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]methyl]-3-(4-methylphenyl)propan-1-ol
CID 167879216
3-bromo-N-methyl-N-[(1R)-1-phenylethyl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 138690062
N-[(1-benzylcyclobutyl)methyl]-3-bromopyrazolo[1,5-a]pyrimidin-5-amine
CID 167745415
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-[1-(2-methylphenyl)propan-2-yl]pyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of 3-bromo-N-[1-(2-methylphenyl)propan-2-yl]pyrazolo[1,5-a]pyrimidin-5-amine (CID 167811303) is 3-bromo-N-[1-(2-methylphenyl)propan-2-yl]pyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for 3-bromo-N-[1-(2-methylphenyl)propan-2-yl]pyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for 3-bromo-N-[1-(2-methylphenyl)propan-2-yl]pyrazolo[1,5-a]pyrimidin-5-amine is Cc1ccccc1CC(C)Nc1ccn2ncc(Br)c2n1.
What is the InChIKey of 3-bromo-N-[1-(2-methylphenyl)propan-2-yl]pyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is DIMADEZYQQXGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN4/c1-11-5-3-4-6-13(11)9-12(2)19-15-7-8-21-16(20-15)14(17)10-18-21/h3-8,10,12H,9H2,1-2H3,(H,19,20).
What are the key properties of 3-bromo-N-[1-(2-methylphenyl)propan-2-yl]pyrazolo[1,5-a]pyrimidin-5-amine?
3-bromo-N-[1-(2-methylphenyl)propan-2-yl]pyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 345.24 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[1-(2-methylphenyl)propan-2-yl]pyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 167811303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).