3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine

C12H9BrN4 — CID 11623420

IUPAC3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESNc1cc(-c2ccccc2)nc2c(Br)cnn12
InChIInChI=1S/C12H9BrN4/c13-9-7-15-17-11(14)6-10(16-12(9)17)8-4-2-1-3-5-8/h1-7H,14H2
InChIKeyKZBYHVHAUOAPIJ-UHFFFAOYSA-N
MW289.14 g/mol
LogP2.74
Rot. Bonds1

About 3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine

3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 11623420) has the molecular formula C12H9BrN4 and a molecular weight of 289.14 g/mol. Its IUPAC name is 3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID11623420
Molecular FormulaC12H9BrN4
Molecular Weight289.14 g/mol
Exact Mass288.00
IUPAC Name3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESNc1cc(-c2ccccc2)nc2c(Br)cnn12
InChIInChI=1S/C12H9BrN4/c13-9-7-15-17-11(14)6-10(16-12(9)17)8-4-2-1-3-5-8/h1-7H,14H2
InChIKeyKZBYHVHAUOAPIJ-UHFFFAOYSA-N
XLogP2.74
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.14
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Decoglurant
CID 71533696
(R)-Zinc-3573
CID 95882507
4-Amino-1-phenylpyrazolo(3,4-d)pyrimidine
CID 4879
5,7-Dimethyl-2-phenylpyrazolo[1,5-a]pyrimidine
CID 737207
5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 741597
3-cyclopropyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo(1,5-a)pyrimidin-7-amine
CID 10042950
3-bromo-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 10249180
3-bromo-5-phenyl-N-(pyrimidin-5-ylmethyl)pyrazolo(1,5-a)pyridin-7-amine
CID 10317619
3-bromo-5-phenyl-N-(pyridin-4-ylmethyl)pyrazolo(1,5-a)pyrimidin-7-amine
CID 10339710
3-((3-Bromo-5-o-tolylpyrazolo(1,5-a)pyrimidin-7-ylamino)methyl)pyridine 1-oxide
CID 11304412
5-(2-fluorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 21066096
N,N'-Diphenylpyrazolo(1,5-A)(1,3,5)triazine-2,4-diamine
CID 24779674

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine (CID 11623420) is 3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine is Nc1cc(-c2ccccc2)nc2c(Br)cnn12.
What is the InChIKey of 3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is KZBYHVHAUOAPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN4/c13-9-7-15-17-11(14)6-10(16-12(9)17)8-4-2-1-3-5-8/h1-7H,14H2.
What are the key properties of 3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 289.14 g/mol, XLogP of 2.74, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 11623420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).