4-[4-(3-amino-1-cyclobutylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]-1-methylpyrazol-3-amine

C17H19N9 — CID 166971014

IUPAC4-[4-(3-amino-1-cyclobutylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]-1-methylpyrazol-3-amine
SMILESCn1cc(-c2cn3nccc3c(-c3cn(C4CCC4)nc3N)n2)c(N)n1
InChIInChI=1S/C17H19N9/c1-24-7-11(16(18)22-24)13-9-26-14(5-6-20-26)15(21-13)12-8-25(23-17(12)19)10-3-2-4-10/h5-10H,2-4H2,1H3,(H2,18,22)(H2,19,23)
InChIKeyXIZAXWWEPBXOFA-UHFFFAOYSA-N
MW349.40 g/mol
LogP1.88
Rot. Bonds3

About 4-[4-(3-amino-1-cyclobutylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]-1-methylpyrazol-3-amine

4-[4-(3-amino-1-cyclobutylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]-1-methylpyrazol-3-amine (PubChem CID 166971014) has the molecular formula C17H19N9 and a molecular weight of 349.40 g/mol. Its IUPAC name is 4-[4-(3-amino-1-cyclobutylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]-1-methylpyrazol-3-amine.

Molecular Properties

Compound Name4-[4-(3-amino-1-cyclobutylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]-1-methylpyrazol-3-amine
PubChem CID166971014
Molecular FormulaC17H19N9
Molecular Weight349.40 g/mol
Exact Mass349.18
IUPAC Name4-[4-(3-amino-1-cyclobutylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]-1-methylpyrazol-3-amine
SMILESCn1cc(-c2cn3nccc3c(-c3cn(C4CCC4)nc3N)n2)c(N)n1
InChIInChI=1S/C17H19N9/c1-24-7-11(16(18)22-24)13-9-26-14(5-6-20-26)15(21-13)12-8-25(23-17(12)19)10-3-2-4-10/h5-10H,2-4H2,1H3,(H2,18,22)(H2,19,23)
InChIKeyXIZAXWWEPBXOFA-UHFFFAOYSA-N
XLogP1.88
TPSA117.87 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.40
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-amino-1-cyclobutylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]-1-methylpyrazol-3-amine?
The IUPAC name of 4-[4-(3-amino-1-cyclobutylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]-1-methylpyrazol-3-amine (CID 166971014) is 4-[4-(3-amino-1-cyclobutylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]-1-methylpyrazol-3-amine.
What is the SMILES notation for 4-[4-(3-amino-1-cyclobutylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]-1-methylpyrazol-3-amine?
The canonical SMILES for 4-[4-(3-amino-1-cyclobutylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]-1-methylpyrazol-3-amine is Cn1cc(-c2cn3nccc3c(-c3cn(C4CCC4)nc3N)n2)c(N)n1.
What is the InChIKey of 4-[4-(3-amino-1-cyclobutylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]-1-methylpyrazol-3-amine?
The InChIKey is XIZAXWWEPBXOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N9/c1-24-7-11(16(18)22-24)13-9-26-14(5-6-20-26)15(21-13)12-8-25(23-17(12)19)10-3-2-4-10/h5-10H,2-4H2,1H3,(H2,18,22)(H2,19,23).
What are the key properties of 4-[4-(3-amino-1-cyclobutylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]-1-methylpyrazol-3-amine?
4-[4-(3-amino-1-cyclobutylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]-1-methylpyrazol-3-amine has a molecular weight of 349.40 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-amino-1-cyclobutylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]-1-methylpyrazol-3-amine is sourced from PubChem (CID 166971014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).