[1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]piperidin-3-yl]methanamine

C16H21N7 — CID 163302026

IUPAC[1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]piperidin-3-yl]methanamine
SMILESCn1cc(-c2cn3nccc3c(N3CCCC(CN)C3)n2)cn1
InChIInChI=1S/C16H21N7/c1-21-10-13(8-19-21)14-11-23-15(4-5-18-23)16(20-14)22-6-2-3-12(7-17)9-22/h4-5,8,10-12H,2-3,6-7,9,17H2,1H3
InChIKeySENUCNCUQMNBFS-UHFFFAOYSA-N
MW311.39 g/mol
LogP1.30
Rot. Bonds3

About [1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]piperidin-3-yl]methanamine

[1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]piperidin-3-yl]methanamine (PubChem CID 163302026) has the molecular formula C16H21N7 and a molecular weight of 311.39 g/mol. Its IUPAC name is [1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]piperidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]piperidin-3-yl]methanamine
PubChem CID163302026
Molecular FormulaC16H21N7
Molecular Weight311.39 g/mol
Exact Mass311.19
IUPAC Name[1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]piperidin-3-yl]methanamine
SMILESCn1cc(-c2cn3nccc3c(N3CCCC(CN)C3)n2)cn1
InChIInChI=1S/C16H21N7/c1-21-10-13(8-19-21)14-11-23-15(4-5-18-23)16(20-14)22-6-2-3-12(7-17)9-22/h4-5,8,10-12H,2-3,6-7,9,17H2,1H3
InChIKeySENUCNCUQMNBFS-UHFFFAOYSA-N
XLogP1.30
TPSA77.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]piperidin-3-yl]methanamine?
The IUPAC name of [1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]piperidin-3-yl]methanamine (CID 163302026) is [1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]piperidin-3-yl]methanamine.
What is the SMILES notation for [1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]piperidin-3-yl]methanamine?
The canonical SMILES for [1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]piperidin-3-yl]methanamine is Cn1cc(-c2cn3nccc3c(N3CCCC(CN)C3)n2)cn1.
What is the InChIKey of [1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]piperidin-3-yl]methanamine?
The InChIKey is SENUCNCUQMNBFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N7/c1-21-10-13(8-19-21)14-11-23-15(4-5-18-23)16(20-14)22-6-2-3-12(7-17)9-22/h4-5,8,10-12H,2-3,6-7,9,17H2,1H3.
What are the key properties of [1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]piperidin-3-yl]methanamine?
[1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]piperidin-3-yl]methanamine has a molecular weight of 311.39 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]piperidin-3-yl]methanamine is sourced from PubChem (CID 163302026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).