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

C14H13N5O2 — CID 21067351

IUPACmethyl 7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidine-5-carboxylate
SMILESCOC(=O)c1cc(NCc2cccnc2)n2nccc2n1
InChIInChI=1S/C14H13N5O2/c1-21-14(20)11-7-13(19-12(18-11)4-6-17-19)16-9-10-3-2-5-15-8-10/h2-8,16H,9H2,1H3
InChIKeyHQCRBODNXRHJNY-UHFFFAOYSA-N
MW283.29 g/mol
LogP1.52
Rot. Bonds4

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

methyl 7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidine-5-carboxylate (PubChem CID 21067351) has the molecular formula C14H13N5O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is methyl 7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidine-5-carboxylate
PubChem CID21067351
Molecular FormulaC14H13N5O2
Molecular Weight283.29 g/mol
Exact Mass283.11
IUPAC Namemethyl 7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidine-5-carboxylate
SMILESCOC(=O)c1cc(NCc2cccnc2)n2nccc2n1
InChIInChI=1S/C14H13N5O2/c1-21-14(20)11-7-13(19-12(18-11)4-6-17-19)16-9-10-3-2-5-15-8-10/h2-8,16H,9H2,1H3
InChIKeyHQCRBODNXRHJNY-UHFFFAOYSA-N
XLogP1.52
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidine-5-carboxylate?
The IUPAC name of methyl 7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidine-5-carboxylate (CID 21067351) is methyl 7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidine-5-carboxylate.
What is the SMILES notation for methyl 7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidine-5-carboxylate?
The canonical SMILES for methyl 7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidine-5-carboxylate is COC(=O)c1cc(NCc2cccnc2)n2nccc2n1.
What is the InChIKey of methyl 7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidine-5-carboxylate?
The InChIKey is HQCRBODNXRHJNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2/c1-21-14(20)11-7-13(19-12(18-11)4-6-17-19)16-9-10-3-2-5-15-8-10/h2-8,16H,9H2,1H3.
What are the key properties of methyl 7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidine-5-carboxylate?
methyl 7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidine-5-carboxylate has a molecular weight of 283.29 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidine-5-carboxylate is sourced from PubChem (CID 21067351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).