methyl 3-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-methylamino]propanoate

C15H22N4O2 — CID 104733418

IUPACmethyl 3-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-methylamino]propanoate
SMILESCOC(=O)CCN(C)c1nccn2nc(C(C)(C)C)cc12
InChIInChI=1S/C15H22N4O2/c1-15(2,3)12-10-11-14(16-7-9-19(11)17-12)18(4)8-6-13(20)21-5/h7,9-10H,6,8H2,1-5H3
InChIKeySRXWSGNPDFAKAA-UHFFFAOYSA-N
MW290.37 g/mol
LogP2.03
Rot. Bonds4

About methyl 3-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-methylamino]propanoate

methyl 3-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-methylamino]propanoate (PubChem CID 104733418) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is methyl 3-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-methylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-methylamino]propanoate
PubChem CID104733418
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Namemethyl 3-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-methylamino]propanoate
SMILESCOC(=O)CCN(C)c1nccn2nc(C(C)(C)C)cc12
InChIInChI=1S/C15H22N4O2/c1-15(2,3)12-10-11-14(16-7-9-19(11)17-12)18(4)8-6-13(20)21-5/h7,9-10H,6,8H2,1-5H3
InChIKeySRXWSGNPDFAKAA-UHFFFAOYSA-N
XLogP2.03
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-methylamino]butanoic acid
CID 104729317
3-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-ethylamino]propanoic acid
CID 104729406
ethyl 3-[methyl-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanoate
CID 113446561
N'-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-N-cyclopropyl-N'-methylethane-1,2-diamine
CID 104733681
1-N-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-3-methoxy-1-N-methylpropane-1,2-diamine
CID 104734234
methyl 4-[methyl(pyrazolo[1,5-a]pyrazin-4-yl)amino]butanoate
CID 113446558
2-tert-butyl-N-(2-chloro-3-methoxypropyl)-N-methylpyrazolo[1,5-a]pyrazin-4-amine
CID 104733885
4-[[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-methylamino]methyl]benzamide
CID 138052927
1-N-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-1-N-methylpropane-1,2-diamine
CID 104734218
methyl 3-[methyl-(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propanoate
CID 62928880
2-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)amino]-N,N-dimethylpropanamide
CID 104731043
methyl 3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]propanoate
CID 62004487

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-methylamino]propanoate?
The IUPAC name of methyl 3-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-methylamino]propanoate (CID 104733418) is methyl 3-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-methylamino]propanoate.
What is the SMILES notation for methyl 3-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-methylamino]propanoate?
The canonical SMILES for methyl 3-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-methylamino]propanoate is COC(=O)CCN(C)c1nccn2nc(C(C)(C)C)cc12.
What is the InChIKey of methyl 3-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-methylamino]propanoate?
The InChIKey is SRXWSGNPDFAKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-15(2,3)12-10-11-14(16-7-9-19(11)17-12)18(4)8-6-13(20)21-5/h7,9-10H,6,8H2,1-5H3.
What are the key properties of methyl 3-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-methylamino]propanoate?
methyl 3-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-methylamino]propanoate has a molecular weight of 290.37 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-methylamino]propanoate is sourced from PubChem (CID 104733418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).