1-[1-(2-methoxy-2-oxoethyl)triazol-4-yl]ethyl 7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate

C15H16N6O4 — CID 167952889

IUPAC1-[1-(2-methoxy-2-oxoethyl)triazol-4-yl]ethyl 7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCOC(=O)Cn1cc(C(C)OC(=O)c2cnc3ccnn3c2C)nn1
InChIInChI=1S/C15H16N6O4/c1-9-11(6-16-13-4-5-17-21(9)13)15(23)25-10(2)12-7-20(19-18-12)8-14(22)24-3/h4-7,10H,8H2,1-3H3
InChIKeyNLAYXSBWXLWIOX-UHFFFAOYSA-N
MW344.33 g/mol
LogP0.72
Rot. Bonds5

About 1-[1-(2-methoxy-2-oxoethyl)triazol-4-yl]ethyl 7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate

1-[1-(2-methoxy-2-oxoethyl)triazol-4-yl]ethyl 7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate (PubChem CID 167952889) has the molecular formula C15H16N6O4 and a molecular weight of 344.33 g/mol. Its IUPAC name is 1-[1-(2-methoxy-2-oxoethyl)triazol-4-yl]ethyl 7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Name1-[1-(2-methoxy-2-oxoethyl)triazol-4-yl]ethyl 7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
PubChem CID167952889
Molecular FormulaC15H16N6O4
Molecular Weight344.33 g/mol
Exact Mass344.12
IUPAC Name1-[1-(2-methoxy-2-oxoethyl)triazol-4-yl]ethyl 7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCOC(=O)Cn1cc(C(C)OC(=O)c2cnc3ccnn3c2C)nn1
InChIInChI=1S/C15H16N6O4/c1-9-11(6-16-13-4-5-17-21(9)13)15(23)25-10(2)12-7-20(19-18-12)8-14(22)24-3/h4-7,10H,8H2,1-3H3
InChIKeyNLAYXSBWXLWIOX-UHFFFAOYSA-N
XLogP0.72
TPSA113.50 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.33
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methoxy-2-oxoethyl)triazol-4-yl]ethyl 7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
The IUPAC name of 1-[1-(2-methoxy-2-oxoethyl)triazol-4-yl]ethyl 7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate (CID 167952889) is 1-[1-(2-methoxy-2-oxoethyl)triazol-4-yl]ethyl 7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate.
What is the SMILES notation for 1-[1-(2-methoxy-2-oxoethyl)triazol-4-yl]ethyl 7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
The canonical SMILES for 1-[1-(2-methoxy-2-oxoethyl)triazol-4-yl]ethyl 7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate is COC(=O)Cn1cc(C(C)OC(=O)c2cnc3ccnn3c2C)nn1.
What is the InChIKey of 1-[1-(2-methoxy-2-oxoethyl)triazol-4-yl]ethyl 7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
The InChIKey is NLAYXSBWXLWIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O4/c1-9-11(6-16-13-4-5-17-21(9)13)15(23)25-10(2)12-7-20(19-18-12)8-14(22)24-3/h4-7,10H,8H2,1-3H3.
What are the key properties of 1-[1-(2-methoxy-2-oxoethyl)triazol-4-yl]ethyl 7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
1-[1-(2-methoxy-2-oxoethyl)triazol-4-yl]ethyl 7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate has a molecular weight of 344.33 g/mol, XLogP of 0.72, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methoxy-2-oxoethyl)triazol-4-yl]ethyl 7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 167952889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).