methyl 4-[methyl(pyrazolo[1,5-a]pyrazin-4-yl)amino]butanoate

C12H16N4O2 — CID 113446558

IUPACmethyl 4-[methyl(pyrazolo[1,5-a]pyrazin-4-yl)amino]butanoate
SMILESCOC(=O)CCCN(C)c1nccn2nccc12
InChIInChI=1S/C12H16N4O2/c1-15(8-3-4-11(17)18-2)12-10-5-6-14-16(10)9-7-13-12/h5-7,9H,3-4,8H2,1-2H3
InChIKeyKUFHKYCIKQPJCU-UHFFFAOYSA-N
MW248.29 g/mol
LogP1.12
Rot. Bonds5

About methyl 4-[methyl(pyrazolo[1,5-a]pyrazin-4-yl)amino]butanoate

methyl 4-[methyl(pyrazolo[1,5-a]pyrazin-4-yl)amino]butanoate (PubChem CID 113446558) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is methyl 4-[methyl(pyrazolo[1,5-a]pyrazin-4-yl)amino]butanoate.

Molecular Properties

Compound Namemethyl 4-[methyl(pyrazolo[1,5-a]pyrazin-4-yl)amino]butanoate
PubChem CID113446558
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Namemethyl 4-[methyl(pyrazolo[1,5-a]pyrazin-4-yl)amino]butanoate
SMILESCOC(=O)CCCN(C)c1nccn2nccc12
InChIInChI=1S/C12H16N4O2/c1-15(8-3-4-11(17)18-2)12-10-5-6-14-16(10)9-7-13-12/h5-7,9H,3-4,8H2,1-2H3
InChIKeyKUFHKYCIKQPJCU-UHFFFAOYSA-N
XLogP1.12
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N'-hydroxy-3-[methyl(pyrazolo[1,5-a]pyrazin-4-yl)amino]propanimidamide
CID 104730261
methyl 4-[methyl(pyrimidin-2-yl)amino]butanoate
CID 62006126
methyl 3-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-methylamino]propanoate
CID 104733418
ethyl 2-[propyl(pyrazolo[1,5-a]pyrazin-4-yl)amino]acetate
CID 104733386
methyl 4-[methyl-(2-methylpyrazole-3-carbonyl)amino]butanoate
CID 55006160
N-methyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 171691640
methyl 3-[methyl-(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]propanoate
CID 62928880
ethyl 2-[cyclopropyl(pyrazolo[1,5-a]pyrazin-4-yl)amino]acetate
CID 104733396
methyl 4-[furan-2-carbonyl(methyl)amino]butanoate
CID 60714315
N-[(4-aminophenyl)methyl]-N-methylpyrazolo[1,5-a]pyrazin-4-amine
CID 104732904
4-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-methylamino]butanoic acid
CID 104729317
methyl 3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]propanoate
CID 62004487

Frequently Asked Questions

What is the IUPAC name of methyl 4-[methyl(pyrazolo[1,5-a]pyrazin-4-yl)amino]butanoate?
The IUPAC name of methyl 4-[methyl(pyrazolo[1,5-a]pyrazin-4-yl)amino]butanoate (CID 113446558) is methyl 4-[methyl(pyrazolo[1,5-a]pyrazin-4-yl)amino]butanoate.
What is the SMILES notation for methyl 4-[methyl(pyrazolo[1,5-a]pyrazin-4-yl)amino]butanoate?
The canonical SMILES for methyl 4-[methyl(pyrazolo[1,5-a]pyrazin-4-yl)amino]butanoate is COC(=O)CCCN(C)c1nccn2nccc12.
What is the InChIKey of methyl 4-[methyl(pyrazolo[1,5-a]pyrazin-4-yl)amino]butanoate?
The InChIKey is KUFHKYCIKQPJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-15(8-3-4-11(17)18-2)12-10-5-6-14-16(10)9-7-13-12/h5-7,9H,3-4,8H2,1-2H3.
What are the key properties of methyl 4-[methyl(pyrazolo[1,5-a]pyrazin-4-yl)amino]butanoate?
methyl 4-[methyl(pyrazolo[1,5-a]pyrazin-4-yl)amino]butanoate has a molecular weight of 248.29 g/mol, XLogP of 1.12, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[methyl(pyrazolo[1,5-a]pyrazin-4-yl)amino]butanoate is sourced from PubChem (CID 113446558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).