methyl 2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]acetate

C12H16N4O2 — CID 104730488

IUPACmethyl 2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]acetate
SMILESCOC(=O)CNc1nccn2nc(C(C)C)cc12
InChIInChI=1S/C12H16N4O2/c1-8(2)9-6-10-12(14-7-11(17)18-3)13-4-5-16(10)15-9/h4-6,8H,7H2,1-3H3,(H,13,14)
InChIKeyJPVIRAKYXVWAER-UHFFFAOYSA-N
MW248.29 g/mol
LogP1.44
Rot. Bonds4

About methyl 2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]acetate

methyl 2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]acetate (PubChem CID 104730488) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is methyl 2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]acetate
PubChem CID104730488
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Namemethyl 2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]acetate
SMILESCOC(=O)CNc1nccn2nc(C(C)C)cc12
InChIInChI=1S/C12H16N4O2/c1-8(2)9-6-10-12(14-7-11(17)18-3)13-4-5-16(10)15-9/h4-6,8H,7H2,1-3H3,(H,13,14)
InChIKeyJPVIRAKYXVWAER-UHFFFAOYSA-N
XLogP1.44
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]acetamide
CID 104730726
2-methyl-3-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanoic acid
CID 113446134
2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]ethyl carbamate
CID 104732050
N-(2-methoxy-2-methylpropyl)-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
CID 104762524
2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]ethylurea
CID 104732037
2-methyl-4-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]butanoic acid
CID 104729700
5-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]pentanamide
CID 106238782
methyl 3-hydroxy-2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanoate
CID 104733378
2-[[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]butanoic acid
CID 104729603
2-methyl-2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanoic acid
CID 113446123
N-(2-methylsulfonylethyl)-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
CID 104730795
2-methyl-2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanamide
CID 104730960

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]acetate?
The IUPAC name of methyl 2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]acetate (CID 104730488) is methyl 2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]acetate.
What is the SMILES notation for methyl 2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]acetate?
The canonical SMILES for methyl 2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]acetate is COC(=O)CNc1nccn2nc(C(C)C)cc12.
What is the InChIKey of methyl 2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]acetate?
The InChIKey is JPVIRAKYXVWAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-8(2)9-6-10-12(14-7-11(17)18-3)13-4-5-16(10)15-9/h4-6,8H,7H2,1-3H3,(H,13,14).
What are the key properties of methyl 2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]acetate?
methyl 2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]acetate has a molecular weight of 248.29 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]acetate is sourced from PubChem (CID 104730488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).