3-bromo-5-cyclopropyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine

C15H14BrN5 — CID 21067035

IUPAC3-bromo-5-cyclopropyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESBrc1cnn2c(NCc3cccnc3)cc(C3CC3)nc12
InChIInChI=1S/C15H14BrN5/c16-12-9-19-21-14(18-8-10-2-1-5-17-7-10)6-13(11-3-4-11)20-15(12)21/h1-2,5-7,9,11,18H,3-4,8H2
InChIKeyTWEBALJIBJFYCZ-UHFFFAOYSA-N
MW344.22 g/mol
LogP3.38
Rot. Bonds4

About 3-bromo-5-cyclopropyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine

3-bromo-5-cyclopropyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 21067035) has the molecular formula C15H14BrN5 and a molecular weight of 344.22 g/mol. Its IUPAC name is 3-bromo-5-cyclopropyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-bromo-5-cyclopropyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID21067035
Molecular FormulaC15H14BrN5
Molecular Weight344.22 g/mol
Exact Mass343.04
IUPAC Name3-bromo-5-cyclopropyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESBrc1cnn2c(NCc3cccnc3)cc(C3CC3)nc12
InChIInChI=1S/C15H14BrN5/c16-12-9-19-21-14(18-8-10-2-1-5-17-7-10)6-13(11-3-4-11)20-15(12)21/h1-2,5-7,9,11,18H,3-4,8H2
InChIKeyTWEBALJIBJFYCZ-UHFFFAOYSA-N
XLogP3.38
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.22
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-cyclopropyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-bromo-5-cyclopropyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 21067035) is 3-bromo-5-cyclopropyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-bromo-5-cyclopropyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-bromo-5-cyclopropyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine is Brc1cnn2c(NCc3cccnc3)cc(C3CC3)nc12.
What is the InChIKey of 3-bromo-5-cyclopropyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is TWEBALJIBJFYCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN5/c16-12-9-19-21-14(18-8-10-2-1-5-17-7-10)6-13(11-3-4-11)20-15(12)21/h1-2,5-7,9,11,18H,3-4,8H2.
What are the key properties of 3-bromo-5-cyclopropyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
3-bromo-5-cyclopropyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 344.22 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-cyclopropyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 21067035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).