3-[(4-bromophenyl)methyl]pyrazolo[1,5-a]pyrimidin-6-amine

C13H11BrN4 — CID 117103482

IUPAC3-[(4-bromophenyl)methyl]pyrazolo[1,5-a]pyrimidin-6-amine
SMILESNc1cnc2c(Cc3ccc(Br)cc3)cnn2c1
InChIInChI=1S/C13H11BrN4/c14-11-3-1-9(2-4-11)5-10-6-17-18-8-12(15)7-16-13(10)18/h1-4,6-8H,5,15H2
InChIKeyNPSFZSQTXHKUAR-UHFFFAOYSA-N
MW303.16 g/mol
LogP2.66
Rot. Bonds2

About 3-[(4-bromophenyl)methyl]pyrazolo[1,5-a]pyrimidin-6-amine

3-[(4-bromophenyl)methyl]pyrazolo[1,5-a]pyrimidin-6-amine (PubChem CID 117103482) has the molecular formula C13H11BrN4 and a molecular weight of 303.16 g/mol. Its IUPAC name is 3-[(4-bromophenyl)methyl]pyrazolo[1,5-a]pyrimidin-6-amine.

Molecular Properties

Compound Name3-[(4-bromophenyl)methyl]pyrazolo[1,5-a]pyrimidin-6-amine
PubChem CID117103482
Molecular FormulaC13H11BrN4
Molecular Weight303.16 g/mol
Exact Mass302.02
IUPAC Name3-[(4-bromophenyl)methyl]pyrazolo[1,5-a]pyrimidin-6-amine
SMILESNc1cnc2c(Cc3ccc(Br)cc3)cnn2c1
InChIInChI=1S/C13H11BrN4/c14-11-3-1-9(2-4-11)5-10-6-17-18-8-12(15)7-16-13(10)18/h1-4,6-8H,5,15H2
InChIKeyNPSFZSQTXHKUAR-UHFFFAOYSA-N
XLogP2.66
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)methyl]pyrazolo[1,5-a]pyrimidin-6-amine?
The IUPAC name of 3-[(4-bromophenyl)methyl]pyrazolo[1,5-a]pyrimidin-6-amine (CID 117103482) is 3-[(4-bromophenyl)methyl]pyrazolo[1,5-a]pyrimidin-6-amine.
What is the SMILES notation for 3-[(4-bromophenyl)methyl]pyrazolo[1,5-a]pyrimidin-6-amine?
The canonical SMILES for 3-[(4-bromophenyl)methyl]pyrazolo[1,5-a]pyrimidin-6-amine is Nc1cnc2c(Cc3ccc(Br)cc3)cnn2c1.
What is the InChIKey of 3-[(4-bromophenyl)methyl]pyrazolo[1,5-a]pyrimidin-6-amine?
The InChIKey is NPSFZSQTXHKUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN4/c14-11-3-1-9(2-4-11)5-10-6-17-18-8-12(15)7-16-13(10)18/h1-4,6-8H,5,15H2.
What are the key properties of 3-[(4-bromophenyl)methyl]pyrazolo[1,5-a]pyrimidin-6-amine?
3-[(4-bromophenyl)methyl]pyrazolo[1,5-a]pyrimidin-6-amine has a molecular weight of 303.16 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)methyl]pyrazolo[1,5-a]pyrimidin-6-amine is sourced from PubChem (CID 117103482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).