3-bromo-N-[1-(4-propan-2-ylphenyl)propan-2-yl]pyrazolo[1,5-a]pyrimidin-5-amine

C18H21BrN4 — CID 167939194

IUPAC3-bromo-N-[1-(4-propan-2-ylphenyl)propan-2-yl]pyrazolo[1,5-a]pyrimidin-5-amine
SMILESCC(Cc1ccc(C(C)C)cc1)Nc1ccn2ncc(Br)c2n1
InChIInChI=1S/C18H21BrN4/c1-12(2)15-6-4-14(5-7-15)10-13(3)21-17-8-9-23-18(22-17)16(19)11-20-23/h4-9,11-13H,10H2,1-3H3,(H,21,22)
InChIKeyGIOXYBKBPXJINP-UHFFFAOYSA-N
MW373.30 g/mol
LogP4.66
Rot. Bonds5

About 3-bromo-N-[1-(4-propan-2-ylphenyl)propan-2-yl]pyrazolo[1,5-a]pyrimidin-5-amine

3-bromo-N-[1-(4-propan-2-ylphenyl)propan-2-yl]pyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 167939194) has the molecular formula C18H21BrN4 and a molecular weight of 373.30 g/mol. Its IUPAC name is 3-bromo-N-[1-(4-propan-2-ylphenyl)propan-2-yl]pyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound Name3-bromo-N-[1-(4-propan-2-ylphenyl)propan-2-yl]pyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID167939194
Molecular FormulaC18H21BrN4
Molecular Weight373.30 g/mol
Exact Mass372.09
IUPAC Name3-bromo-N-[1-(4-propan-2-ylphenyl)propan-2-yl]pyrazolo[1,5-a]pyrimidin-5-amine
SMILESCC(Cc1ccc(C(C)C)cc1)Nc1ccn2ncc(Br)c2n1
InChIInChI=1S/C18H21BrN4/c1-12(2)15-6-4-14(5-7-15)10-13(3)21-17-8-9-23-18(22-17)16(19)11-20-23/h4-9,11-13H,10H2,1-3H3,(H,21,22)
InChIKeyGIOXYBKBPXJINP-UHFFFAOYSA-N
XLogP4.66
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.30
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-[(1R)-1-phenylethyl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 151211392
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
1-[2-[(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]propyl]pyrrolidin-2-one
CID 167973333
2-[[(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]methyl]-3-(4-methylphenyl)propan-1-ol
CID 167879216
N-[1-(4-fluorophenyl)propan-2-yl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 115372544
ethyl 2-benzyl-3-[(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]propanoate
CID 167837407
N-[(1-benzylcyclobutyl)methyl]-3-bromopyrazolo[1,5-a]pyrimidin-5-amine
CID 167745415

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[1-(4-propan-2-ylphenyl)propan-2-yl]pyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of 3-bromo-N-[1-(4-propan-2-ylphenyl)propan-2-yl]pyrazolo[1,5-a]pyrimidin-5-amine (CID 167939194) is 3-bromo-N-[1-(4-propan-2-ylphenyl)propan-2-yl]pyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for 3-bromo-N-[1-(4-propan-2-ylphenyl)propan-2-yl]pyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for 3-bromo-N-[1-(4-propan-2-ylphenyl)propan-2-yl]pyrazolo[1,5-a]pyrimidin-5-amine is CC(Cc1ccc(C(C)C)cc1)Nc1ccn2ncc(Br)c2n1.
What is the InChIKey of 3-bromo-N-[1-(4-propan-2-ylphenyl)propan-2-yl]pyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is GIOXYBKBPXJINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN4/c1-12(2)15-6-4-14(5-7-15)10-13(3)21-17-8-9-23-18(22-17)16(19)11-20-23/h4-9,11-13H,10H2,1-3H3,(H,21,22).
What are the key properties of 3-bromo-N-[1-(4-propan-2-ylphenyl)propan-2-yl]pyrazolo[1,5-a]pyrimidin-5-amine?
3-bromo-N-[1-(4-propan-2-ylphenyl)propan-2-yl]pyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 373.30 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[1-(4-propan-2-ylphenyl)propan-2-yl]pyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 167939194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).