3-bromo-5-propan-2-yl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine

C14H14BrN5 — CID 10088111

IUPAC3-bromo-5-propan-2-yl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCC(C)c1cc(Nc2ccncc2)n2ncc(Br)c2n1
InChIInChI=1S/C14H14BrN5/c1-9(2)12-7-13(18-10-3-5-16-6-4-10)20-14(19-12)11(15)8-17-20/h3-9H,1-2H3,(H,16,18)
InChIKeyXHGIDDLABQMLKY-UHFFFAOYSA-N
MW332.21 g/mol
LogP3.75
Rot. Bonds3

About 3-bromo-5-propan-2-yl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine

3-bromo-5-propan-2-yl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 10088111) has the molecular formula C14H14BrN5 and a molecular weight of 332.21 g/mol. Its IUPAC name is 3-bromo-5-propan-2-yl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-bromo-5-propan-2-yl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID10088111
Molecular FormulaC14H14BrN5
Molecular Weight332.21 g/mol
Exact Mass331.04
IUPAC Name3-bromo-5-propan-2-yl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCC(C)c1cc(Nc2ccncc2)n2ncc(Br)c2n1
InChIInChI=1S/C14H14BrN5/c1-9(2)12-7-13(18-10-3-5-16-6-4-10)20-14(19-12)11(15)8-17-20/h3-9H,1-2H3,(H,16,18)
InChIKeyXHGIDDLABQMLKY-UHFFFAOYSA-N
XLogP3.75
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.21
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-propan-2-yl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-bromo-5-propan-2-yl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 10088111) is 3-bromo-5-propan-2-yl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-bromo-5-propan-2-yl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-bromo-5-propan-2-yl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine is CC(C)c1cc(Nc2ccncc2)n2ncc(Br)c2n1.
What is the InChIKey of 3-bromo-5-propan-2-yl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is XHGIDDLABQMLKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN5/c1-9(2)12-7-13(18-10-3-5-16-6-4-10)20-14(19-12)11(15)8-17-20/h3-9H,1-2H3,(H,16,18).
What are the key properties of 3-bromo-5-propan-2-yl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine?
3-bromo-5-propan-2-yl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 332.21 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-propan-2-yl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 10088111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).