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

C15H15N5O2 — CID 21067291

IUPACethyl 7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cc(NCc2cccnc2)n2nccc2n1
InChIInChI=1S/C15H15N5O2/c1-2-22-15(21)12-8-14(20-13(19-12)5-7-18-20)17-10-11-4-3-6-16-9-11/h3-9,17H,2,10H2,1H3
InChIKeyBACSDDCVZMJQSO-UHFFFAOYSA-N
MW297.32 g/mol
LogP1.91
Rot. Bonds5

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

ethyl 7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidine-5-carboxylate (PubChem CID 21067291) has the molecular formula C15H15N5O2 and a molecular weight of 297.32 g/mol. Its IUPAC name is ethyl 7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidine-5-carboxylate
PubChem CID21067291
Molecular FormulaC15H15N5O2
Molecular Weight297.32 g/mol
Exact Mass297.12
IUPAC Nameethyl 7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cc(NCc2cccnc2)n2nccc2n1
InChIInChI=1S/C15H15N5O2/c1-2-22-15(21)12-8-14(20-13(19-12)5-7-18-20)17-10-11-4-3-6-16-9-11/h3-9,17H,2,10H2,1H3
InChIKeyBACSDDCVZMJQSO-UHFFFAOYSA-N
XLogP1.91
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidine-5-carboxylate?
The IUPAC name of ethyl 7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidine-5-carboxylate (CID 21067291) is ethyl 7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidine-5-carboxylate is CCOC(=O)c1cc(NCc2cccnc2)n2nccc2n1.
What is the InChIKey of ethyl 7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidine-5-carboxylate?
The InChIKey is BACSDDCVZMJQSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2/c1-2-22-15(21)12-8-14(20-13(19-12)5-7-18-20)17-10-11-4-3-6-16-9-11/h3-9,17H,2,10H2,1H3.
What are the key properties of ethyl 7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidine-5-carboxylate?
ethyl 7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidine-5-carboxylate has a molecular weight of 297.32 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidine-5-carboxylate is sourced from PubChem (CID 21067291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).