methyl 2-[(2-methoxy-2-oxoethyl)-pyrazolo[1,5-a]pyrimidin-5-ylamino]acetate

C12H14N4O4 — CID 115372990

IUPACmethyl 2-[(2-methoxy-2-oxoethyl)-pyrazolo[1,5-a]pyrimidin-5-ylamino]acetate
SMILESCOC(=O)CN(CC(=O)OC)c1ccn2nccc2n1
InChIInChI=1S/C12H14N4O4/c1-19-11(17)7-15(8-12(18)20-2)9-4-6-16-10(14-9)3-5-13-16/h3-6H,7-8H2,1-2H3
InChIKeyTWDWAQGCRADOHA-UHFFFAOYSA-N
MW278.27 g/mol
LogP-0.12
Rot. Bonds5

About methyl 2-[(2-methoxy-2-oxoethyl)-pyrazolo[1,5-a]pyrimidin-5-ylamino]acetate

methyl 2-[(2-methoxy-2-oxoethyl)-pyrazolo[1,5-a]pyrimidin-5-ylamino]acetate (PubChem CID 115372990) has the molecular formula C12H14N4O4 and a molecular weight of 278.27 g/mol. Its IUPAC name is methyl 2-[(2-methoxy-2-oxoethyl)-pyrazolo[1,5-a]pyrimidin-5-ylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-methoxy-2-oxoethyl)-pyrazolo[1,5-a]pyrimidin-5-ylamino]acetate
PubChem CID115372990
Molecular FormulaC12H14N4O4
Molecular Weight278.27 g/mol
Exact Mass278.10
IUPAC Namemethyl 2-[(2-methoxy-2-oxoethyl)-pyrazolo[1,5-a]pyrimidin-5-ylamino]acetate
SMILESCOC(=O)CN(CC(=O)OC)c1ccn2nccc2n1
InChIInChI=1S/C12H14N4O4/c1-19-11(17)7-15(8-12(18)20-2)9-4-6-16-10(14-9)3-5-13-16/h3-6H,7-8H2,1-2H3
InChIKeyTWDWAQGCRADOHA-UHFFFAOYSA-N
XLogP-0.12
TPSA86.03 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 5-0.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

methyl 2-[(2-methoxy-2-oxoethyl)-(6-methoxy-2-pyridinyl)amino]acetate
CID 63588742
N'-ethyl-N'-pyrazolo[1,5-a]pyrimidin-5-ylethane-1,2-diamine
CID 115373260
N-methyl-N'-propyl-N'-pyrazolo[1,5-a]pyrimidin-5-ylethane-1,2-diamine
CID 115373053
methyl 2-[(2-methoxy-2-oxoethyl)-pyridazin-3-ylamino]acetate
CID 94903520
methyl 2-[2-[bis(2-methoxy-2-oxoethyl)amino]-N-(2-methoxy-2-oxoethyl)anilino]acetate
CID 70130679
2-[2-[methyl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]ethoxy]ethanol
CID 114243521
N'-ethyl-2-methyl-N'-pyrazolo[1,5-a]pyrimidin-5-ylpropane-1,3-diamine
CID 115372171
2-[propan-2-yl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]ethanol
CID 115372880
N',2-dimethyl-N'-pyrazolo[1,5-a]pyrimidin-5-ylpropane-1,3-diamine
CID 115372172
methyl 2-(N-(2-methoxy-2-oxoethyl)anilino)acetate
CID 5323791
2-(pyrazolo[1,5-a]pyrimidin-5-ylamino)pentanoic acid
CID 115372015
N-[3-(aminomethyl)phenyl]-N-methylpyrazolo[1,5-a]pyrimidin-5-amine
CID 115372174

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methoxy-2-oxoethyl)-pyrazolo[1,5-a]pyrimidin-5-ylamino]acetate?
The IUPAC name of methyl 2-[(2-methoxy-2-oxoethyl)-pyrazolo[1,5-a]pyrimidin-5-ylamino]acetate (CID 115372990) is methyl 2-[(2-methoxy-2-oxoethyl)-pyrazolo[1,5-a]pyrimidin-5-ylamino]acetate.
What is the SMILES notation for methyl 2-[(2-methoxy-2-oxoethyl)-pyrazolo[1,5-a]pyrimidin-5-ylamino]acetate?
The canonical SMILES for methyl 2-[(2-methoxy-2-oxoethyl)-pyrazolo[1,5-a]pyrimidin-5-ylamino]acetate is COC(=O)CN(CC(=O)OC)c1ccn2nccc2n1.
What is the InChIKey of methyl 2-[(2-methoxy-2-oxoethyl)-pyrazolo[1,5-a]pyrimidin-5-ylamino]acetate?
The InChIKey is TWDWAQGCRADOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O4/c1-19-11(17)7-15(8-12(18)20-2)9-4-6-16-10(14-9)3-5-13-16/h3-6H,7-8H2,1-2H3.
What are the key properties of methyl 2-[(2-methoxy-2-oxoethyl)-pyrazolo[1,5-a]pyrimidin-5-ylamino]acetate?
methyl 2-[(2-methoxy-2-oxoethyl)-pyrazolo[1,5-a]pyrimidin-5-ylamino]acetate has a molecular weight of 278.27 g/mol, XLogP of -0.12, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methoxy-2-oxoethyl)-pyrazolo[1,5-a]pyrimidin-5-ylamino]acetate is sourced from PubChem (CID 115372990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).