methyl 3-hydroxy-2-(pyrazolo[1,5-a]pyrazin-4-ylamino)propanoate

C10H12N4O3 — CID 104733374

IUPACmethyl 3-hydroxy-2-(pyrazolo[1,5-a]pyrazin-4-ylamino)propanoate
SMILESCOC(=O)C(CO)Nc1nccn2nccc12
InChIInChI=1S/C10H12N4O3/c1-17-10(16)7(6-15)13-9-8-2-3-12-14(8)5-4-11-9/h2-5,7,15H,6H2,1H3,(H,11,13)
InChIKeyYYWGIMOUMDKRTL-UHFFFAOYSA-N
MW236.23 g/mol
LogP-0.32
Rot. Bonds4

About methyl 3-hydroxy-2-(pyrazolo[1,5-a]pyrazin-4-ylamino)propanoate

methyl 3-hydroxy-2-(pyrazolo[1,5-a]pyrazin-4-ylamino)propanoate (PubChem CID 104733374) has the molecular formula C10H12N4O3 and a molecular weight of 236.23 g/mol. Its IUPAC name is methyl 3-hydroxy-2-(pyrazolo[1,5-a]pyrazin-4-ylamino)propanoate.

Molecular Properties

Compound Namemethyl 3-hydroxy-2-(pyrazolo[1,5-a]pyrazin-4-ylamino)propanoate
PubChem CID104733374
Molecular FormulaC10H12N4O3
Molecular Weight236.23 g/mol
Exact Mass236.09
IUPAC Namemethyl 3-hydroxy-2-(pyrazolo[1,5-a]pyrazin-4-ylamino)propanoate
SMILESCOC(=O)C(CO)Nc1nccn2nccc12
InChIInChI=1S/C10H12N4O3/c1-17-10(16)7(6-15)13-9-8-2-3-12-14(8)5-4-11-9/h2-5,7,15H,6H2,1H3,(H,11,13)
InChIKeyYYWGIMOUMDKRTL-UHFFFAOYSA-N
XLogP-0.32
TPSA88.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 3-hydroxy-2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanoate
CID 104733378
methyl 3-hydroxy-2-[(3-methyl-2-pyridinyl)amino]propanoate
CID 55211793
3-(pyrazolo[1,5-a]pyrazin-4-ylamino)butan-1-ol
CID 104732049
4-methyl-2-N-pyrazolo[1,5-a]pyrazin-4-ylpentane-1,2-diamine
CID 113446473
2-N-pyrazolo[1,5-a]pyrazin-4-ylbutane-1,2-diamine
CID 104732618
methyl 3-hydroxy-2-(pyridin-2-ylamino)propanoate
CID 62005676
methyl 3-hydroxy-2-[(2-oxo-1H-pyrazin-3-yl)amino]propanoate
CID 114571199
N-(1-methylsulfonylpropan-2-yl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104731650
N-(2-methylpropyl)-2-(pyrazolo[1,5-a]pyrazin-4-ylamino)acetamide
CID 104732075
methyl 2-[(5-bromoisoquinolin-1-yl)amino]-3-hydroxypropanoate
CID 106541901
methyl 2-[(5-fluoropyrimidin-2-yl)amino]-3-hydroxypropanoate
CID 112703180
N-(1-pyridin-4-ylethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 113446272

Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-2-(pyrazolo[1,5-a]pyrazin-4-ylamino)propanoate?
The IUPAC name of methyl 3-hydroxy-2-(pyrazolo[1,5-a]pyrazin-4-ylamino)propanoate (CID 104733374) is methyl 3-hydroxy-2-(pyrazolo[1,5-a]pyrazin-4-ylamino)propanoate.
What is the SMILES notation for methyl 3-hydroxy-2-(pyrazolo[1,5-a]pyrazin-4-ylamino)propanoate?
The canonical SMILES for methyl 3-hydroxy-2-(pyrazolo[1,5-a]pyrazin-4-ylamino)propanoate is COC(=O)C(CO)Nc1nccn2nccc12.
What is the InChIKey of methyl 3-hydroxy-2-(pyrazolo[1,5-a]pyrazin-4-ylamino)propanoate?
The InChIKey is YYWGIMOUMDKRTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O3/c1-17-10(16)7(6-15)13-9-8-2-3-12-14(8)5-4-11-9/h2-5,7,15H,6H2,1H3,(H,11,13).
What are the key properties of methyl 3-hydroxy-2-(pyrazolo[1,5-a]pyrazin-4-ylamino)propanoate?
methyl 3-hydroxy-2-(pyrazolo[1,5-a]pyrazin-4-ylamino)propanoate has a molecular weight of 236.23 g/mol, XLogP of -0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-2-(pyrazolo[1,5-a]pyrazin-4-ylamino)propanoate is sourced from PubChem (CID 104733374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).