ethyl 3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidine-5-carboxylate

C15H14BrN5O2 — CID 21067290

IUPACethyl 3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cc(NCc2cccnc2)n2ncc(Br)c2n1
InChIInChI=1S/C15H14BrN5O2/c1-2-23-15(22)12-6-13(18-8-10-4-3-5-17-7-10)21-14(20-12)11(16)9-19-21/h3-7,9,18H,2,8H2,1H3
InChIKeyVSUOVIRJAATASJ-UHFFFAOYSA-N
MW376.21 g/mol
LogP2.68
Rot. Bonds5

About ethyl 3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidine-5-carboxylate

ethyl 3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidine-5-carboxylate (PubChem CID 21067290) has the molecular formula C15H14BrN5O2 and a molecular weight of 376.21 g/mol. Its IUPAC name is ethyl 3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidine-5-carboxylate
PubChem CID21067290
Molecular FormulaC15H14BrN5O2
Molecular Weight376.21 g/mol
Exact Mass375.03
IUPAC Nameethyl 3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cc(NCc2cccnc2)n2ncc(Br)c2n1
InChIInChI=1S/C15H14BrN5O2/c1-2-23-15(22)12-6-13(18-8-10-4-3-5-17-7-10)21-14(20-12)11(16)9-19-21/h3-7,9,18H,2,8H2,1H3
InChIKeyVSUOVIRJAATASJ-UHFFFAOYSA-N
XLogP2.68
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.21
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidine-5-carboxylate?
The IUPAC name of ethyl 3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidine-5-carboxylate (CID 21067290) is ethyl 3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidine-5-carboxylate is CCOC(=O)c1cc(NCc2cccnc2)n2ncc(Br)c2n1.
What is the InChIKey of ethyl 3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidine-5-carboxylate?
The InChIKey is VSUOVIRJAATASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN5O2/c1-2-23-15(22)12-6-13(18-8-10-4-3-5-17-7-10)21-14(20-12)11(16)9-19-21/h3-7,9,18H,2,8H2,1H3.
What are the key properties of ethyl 3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidine-5-carboxylate?
ethyl 3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidine-5-carboxylate has a molecular weight of 376.21 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidine-5-carboxylate is sourced from PubChem (CID 21067290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).