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

C14H14BrN5 — CID 10471927

IUPAC3-bromo-5-ethyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1cc(NCc2cccnc2)n2ncc(Br)c2n1
InChIInChI=1S/C14H14BrN5/c1-2-11-6-13(17-8-10-4-3-5-16-7-10)20-14(19-11)12(15)9-18-20/h3-7,9,17H,2,8H2,1H3
InChIKeyFKICFRRAAYFTDU-UHFFFAOYSA-N
MW332.20 g/mol
LogP3.06
Rot. Bonds4

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

3-bromo-5-ethyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 10471927) has the molecular formula C14H14BrN5 and a molecular weight of 332.20 g/mol. Its IUPAC name is 3-bromo-5-ethyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-bromo-5-ethyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID10471927
Molecular FormulaC14H14BrN5
Molecular Weight332.20 g/mol
Exact Mass331.04
IUPAC Name3-bromo-5-ethyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1cc(NCc2cccnc2)n2ncc(Br)c2n1
InChIInChI=1S/C14H14BrN5/c1-2-11-6-13(17-8-10-4-3-5-16-7-10)20-14(19-11)12(15)9-18-20/h3-7,9,17H,2,8H2,1H3
InChIKeyFKICFRRAAYFTDU-UHFFFAOYSA-N
XLogP3.06
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.20
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-ethyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-bromo-5-ethyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 10471927) is 3-bromo-5-ethyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-bromo-5-ethyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-bromo-5-ethyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine is CCc1cc(NCc2cccnc2)n2ncc(Br)c2n1.
What is the InChIKey of 3-bromo-5-ethyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is FKICFRRAAYFTDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN5/c1-2-11-6-13(17-8-10-4-3-5-16-7-10)20-14(19-11)12(15)9-18-20/h3-7,9,17H,2,8H2,1H3.
What are the key properties of 3-bromo-5-ethyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
3-bromo-5-ethyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 332.20 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-ethyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 10471927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).