methyl 2-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)acetate

C10H10N4O3 — CID 19414602

IUPACmethyl 2-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)acetate
SMILESCOC(=O)CNC(=O)c1cnn2cccnc12
InChIInChI=1S/C10H10N4O3/c1-17-8(15)6-12-10(16)7-5-13-14-4-2-3-11-9(7)14/h2-5H,6H2,1H3,(H,12,16)
InChIKeyNNUKQGSMCVNUTI-UHFFFAOYSA-N
MW234.22 g/mol
LogP-0.37
Rot. Bonds3

About methyl 2-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)acetate

methyl 2-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)acetate (PubChem CID 19414602) has the molecular formula C10H10N4O3 and a molecular weight of 234.22 g/mol. Its IUPAC name is methyl 2-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)acetate.

Molecular Properties

Compound Namemethyl 2-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)acetate
PubChem CID19414602
Molecular FormulaC10H10N4O3
Molecular Weight234.22 g/mol
Exact Mass234.08
IUPAC Namemethyl 2-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)acetate
SMILESCOC(=O)CNC(=O)c1cnn2cccnc12
InChIInChI=1S/C10H10N4O3/c1-17-8(15)6-12-10(16)7-5-13-14-4-2-3-11-9(7)14/h2-5H,6H2,1H3,(H,12,16)
InChIKeyNNUKQGSMCVNUTI-UHFFFAOYSA-N
XLogP-0.37
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)acetate?
The IUPAC name of methyl 2-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)acetate (CID 19414602) is methyl 2-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)acetate.
What is the SMILES notation for methyl 2-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)acetate?
The canonical SMILES for methyl 2-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)acetate is COC(=O)CNC(=O)c1cnn2cccnc12.
What is the InChIKey of methyl 2-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)acetate?
The InChIKey is NNUKQGSMCVNUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O3/c1-17-8(15)6-12-10(16)7-5-13-14-4-2-3-11-9(7)14/h2-5H,6H2,1H3,(H,12,16).
What are the key properties of methyl 2-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)acetate?
methyl 2-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)acetate has a molecular weight of 234.22 g/mol, XLogP of -0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)acetate is sourced from PubChem (CID 19414602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).