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

C12H14N4O2 — CID 104729771

IUPAC2-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]pent-4-enoic acid
SMILESC=CCC(Nc1nccn2nc(C)cc12)C(=O)O
InChIInChI=1S/C12H14N4O2/c1-3-4-9(12(17)18)14-11-10-7-8(2)15-16(10)6-5-13-11/h3,5-7,9H,1,4H2,2H3,(H,13,14)(H,17,18)
InChIKeyQFTFPIAYDREPGV-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.48
Rot. Bonds5

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

2-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]pent-4-enoic acid (PubChem CID 104729771) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 2-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]pent-4-enoic acid.

Molecular Properties

Compound Name2-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]pent-4-enoic acid
PubChem CID104729771
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name2-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]pent-4-enoic acid
SMILESC=CCC(Nc1nccn2nc(C)cc12)C(=O)O
InChIInChI=1S/C12H14N4O2/c1-3-4-9(12(17)18)14-11-10-7-8(2)15-16(10)6-5-13-11/h3,5-7,9H,1,4H2,2H3,(H,13,14)(H,17,18)
InChIKeyQFTFPIAYDREPGV-UHFFFAOYSA-N
XLogP1.48
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]pent-4-enoic acid?
The IUPAC name of 2-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]pent-4-enoic acid (CID 104729771) is 2-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]pent-4-enoic acid.
What is the SMILES notation for 2-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]pent-4-enoic acid?
The canonical SMILES for 2-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]pent-4-enoic acid is C=CCC(Nc1nccn2nc(C)cc12)C(=O)O.
What is the InChIKey of 2-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]pent-4-enoic acid?
The InChIKey is QFTFPIAYDREPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-3-4-9(12(17)18)14-11-10-7-8(2)15-16(10)6-5-13-11/h3,5-7,9H,1,4H2,2H3,(H,13,14)(H,17,18).
What are the key properties of 2-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]pent-4-enoic acid?
2-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]pent-4-enoic acid has a molecular weight of 246.27 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]pent-4-enoic acid is sourced from PubChem (CID 104729771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).