4-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-methylamino]butanoic acid

C15H22N4O2 — CID 104729317

IUPAC4-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-methylamino]butanoic acid
SMILESCN(CCCC(=O)O)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)8-5-6-13(20)21/h7,9-10H,5-6,8H2,1-4H3,(H,20,21)
InChIKeyXTRUMUPQWVAVHE-UHFFFAOYSA-N
MW290.37 g/mol
LogP2.33
Rot. Bonds5

About 4-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-methylamino]butanoic acid

4-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-methylamino]butanoic acid (PubChem CID 104729317) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 4-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-methylamino]butanoic acid.

Molecular Properties

Compound Name4-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-methylamino]butanoic acid
PubChem CID104729317
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name4-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-methylamino]butanoic acid
SMILESCN(CCCC(=O)O)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)8-5-6-13(20)21/h7,9-10H,5-6,8H2,1-4H3,(H,20,21)
InChIKeyXTRUMUPQWVAVHE-UHFFFAOYSA-N
XLogP2.33
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-ethylamino]propanoic acid
CID 104729406
N'-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-N'-methylpropane-1,3-diamine
CID 104729815
methyl 3-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-methylamino]propanoate
CID 104733418
N'-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-N-cyclopropyl-N'-methylethane-1,2-diamine
CID 104733681
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
1-N-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-3-methoxy-1-N-methylpropane-1,2-diamine
CID 104734234
2-tert-butyl-N-(2-chloro-3-methoxypropyl)-N-methylpyrazolo[1,5-a]pyrazin-4-amine
CID 104733885
2-[2-(dimethylamino)ethyl-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]acetic acid
CID 107424895
ethyl 3-[methyl-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanoate
CID 113446561
2-[1-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)azetidin-3-yl]acetic acid
CID 104729582
3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)-propan-2-ylamino]propanoic acid
CID 113446120

Frequently Asked Questions

What is the IUPAC name of 4-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-methylamino]butanoic acid?
The IUPAC name of 4-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-methylamino]butanoic acid (CID 104729317) is 4-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-methylamino]butanoic acid.
What is the SMILES notation for 4-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-methylamino]butanoic acid?
The canonical SMILES for 4-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-methylamino]butanoic acid is CN(CCCC(=O)O)c1nccn2nc(C(C)(C)C)cc12.
What is the InChIKey of 4-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-methylamino]butanoic acid?
The InChIKey is XTRUMUPQWVAVHE-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)8-5-6-13(20)21/h7,9-10H,5-6,8H2,1-4H3,(H,20,21).
What are the key properties of 4-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-methylamino]butanoic acid?
4-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-methylamino]butanoic acid has a molecular weight of 290.37 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-methylamino]butanoic acid is sourced from PubChem (CID 104729317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).