3-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-ethylamino]propanoic acid

C15H22N4O2 — CID 104729406

IUPAC3-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-ethylamino]propanoic acid
SMILESCCN(CCC(=O)O)c1nccn2nc(C(C)(C)C)cc12
InChIInChI=1S/C15H22N4O2/c1-5-18(8-6-13(20)21)14-11-10-12(15(2,3)4)17-19(11)9-7-16-14/h7,9-10H,5-6,8H2,1-4H3,(H,20,21)
InChIKeyYUCFFVHTNPKQQU-UHFFFAOYSA-N
MW290.37 g/mol
LogP2.33
Rot. Bonds5

About 3-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-ethylamino]propanoic acid

3-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-ethylamino]propanoic acid (PubChem CID 104729406) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 3-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-ethylamino]propanoic acid.

Molecular Properties

Compound Name3-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-ethylamino]propanoic acid
PubChem CID104729406
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name3-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-ethylamino]propanoic acid
SMILESCCN(CCC(=O)O)c1nccn2nc(C(C)(C)C)cc12
InChIInChI=1S/C15H22N4O2/c1-5-18(8-6-13(20)21)14-11-10-12(15(2,3)4)17-19(11)9-7-16-14/h7,9-10H,5-6,8H2,1-4H3,(H,20,21)
InChIKeyYUCFFVHTNPKQQU-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

4-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-methylamino]butanoic acid
CID 104729317
methyl 3-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-methylamino]propanoate
CID 104733418
N-(2-chloroethyl)-N-ethyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 113446611
N'-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-N'-methylpropane-1,3-diamine
CID 104729815
3-[ethyl-(3-methylpyrazin-2-yl)amino]propanoic acid
CID 83062665
3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)-propan-2-ylamino]propanoic acid
CID 113446120
3-[propan-2-yl-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanoic acid
CID 104729371
4-[[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-methylamino]methyl]benzamide
CID 138052927
3-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)amino]-N-ethylpropanamide
CID 104732106
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)-1-N-methylpropane-1,2-diamine
CID 104734218
N-methyl-N'-propyl-N'-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]ethane-1,2-diamine
CID 104733689

Frequently Asked Questions

What is the IUPAC name of 3-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-ethylamino]propanoic acid?
The IUPAC name of 3-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-ethylamino]propanoic acid (CID 104729406) is 3-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-ethylamino]propanoic acid.
What is the SMILES notation for 3-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-ethylamino]propanoic acid?
The canonical SMILES for 3-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-ethylamino]propanoic acid is CCN(CCC(=O)O)c1nccn2nc(C(C)(C)C)cc12.
What is the InChIKey of 3-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-ethylamino]propanoic acid?
The InChIKey is YUCFFVHTNPKQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-5-18(8-6-13(20)21)14-11-10-12(15(2,3)4)17-19(11)9-7-16-14/h7,9-10H,5-6,8H2,1-4H3,(H,20,21).
What are the key properties of 3-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-ethylamino]propanoic acid?
3-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-ethylamino]propanoic 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 3-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-ethylamino]propanoic acid is sourced from PubChem (CID 104729406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).