2-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)amino]pent-4-enoic acid

C15H20N4O2 — CID 104729773

IUPAC2-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)amino]pent-4-enoic acid
SMILESC=CCC(Nc1nccn2nc(C(C)(C)C)cc12)C(=O)O
InChIInChI=1S/C15H20N4O2/c1-5-6-10(14(20)21)17-13-11-9-12(15(2,3)4)18-19(11)8-7-16-13/h5,7-10H,1,6H2,2-4H3,(H,16,17)(H,20,21)
InChIKeyYQEOCHISIVPIPE-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.47
Rot. Bonds5

About 2-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)amino]pent-4-enoic acid

2-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)amino]pent-4-enoic acid (PubChem CID 104729773) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)amino]pent-4-enoic acid.

Molecular Properties

Compound Name2-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)amino]pent-4-enoic acid
PubChem CID104729773
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name2-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)amino]pent-4-enoic acid
SMILESC=CCC(Nc1nccn2nc(C(C)(C)C)cc12)C(=O)O
InChIInChI=1S/C15H20N4O2/c1-5-6-10(14(20)21)17-13-11-9-12(15(2,3)4)18-19(11)8-7-16-13/h5,7-10H,1,6H2,2-4H3,(H,16,17)(H,20,21)
InChIKeyYQEOCHISIVPIPE-UHFFFAOYSA-N
XLogP2.47
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]pent-4-enoic acid
CID 104729771
N-but-3-en-2-yl-2-tert-butylpyrazolo[1,5-a]pyrazin-4-amine
CID 113480150
2-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]pentanoic acid
CID 104729355
2-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)amino]propane-1,3-diol
CID 104731728
2-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)amino]-N,N-dimethylpropanamide
CID 104731043
2-[(3-methylpyrazin-2-yl)amino]pent-4-enoic acid
CID 83062688
3-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)amino]-2-hydroxypropanamide
CID 106170571
2-N-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)butane-1,2-diamine
CID 104732617
2-tert-butyl-N-(2-methylpropyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104730378
3-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)amino]-N-ethylpropanamide
CID 104732106
2-methyl-3-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]butanoic acid
CID 104729804
2-tert-butyl-N-pent-1-yn-3-ylpyrazolo[1,5-a]pyrazin-4-amine
CID 106231271

Frequently Asked Questions

What is the IUPAC name of 2-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)amino]pent-4-enoic acid?
The IUPAC name of 2-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)amino]pent-4-enoic acid (CID 104729773) is 2-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)amino]pent-4-enoic acid.
What is the SMILES notation for 2-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)amino]pent-4-enoic acid?
The canonical SMILES for 2-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)amino]pent-4-enoic acid is C=CCC(Nc1nccn2nc(C(C)(C)C)cc12)C(=O)O.
What is the InChIKey of 2-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)amino]pent-4-enoic acid?
The InChIKey is YQEOCHISIVPIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-5-6-10(14(20)21)17-13-11-9-12(15(2,3)4)18-19(11)8-7-16-13/h5,7-10H,1,6H2,2-4H3,(H,16,17)(H,20,21).
What are the key properties of 2-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)amino]pent-4-enoic acid?
2-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)amino]pent-4-enoic acid has a molecular weight of 288.35 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)amino]pent-4-enoic acid is sourced from PubChem (CID 104729773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).