N-[[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]methyl]propan-2-amine

C16H25N5 — CID 104733601

IUPACN-[[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]methyl]propan-2-amine
SMILESCc1cc2c(N3CCC(CNC(C)C)CC3)nccn2n1
InChIInChI=1S/C16H25N5/c1-12(2)18-11-14-4-7-20(8-5-14)16-15-10-13(3)19-21(15)9-6-17-16/h6,9-10,12,14,18H,4-5,7-8,11H2,1-3H3
InChIKeyQWYYMVGWWUAZMU-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.25
Rot. Bonds4

About N-[[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]methyl]propan-2-amine

N-[[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]methyl]propan-2-amine (PubChem CID 104733601) has the molecular formula C16H25N5 and a molecular weight of 287.41 g/mol. Its IUPAC name is N-[[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]methyl]propan-2-amine
PubChem CID104733601
Molecular FormulaC16H25N5
Molecular Weight287.41 g/mol
Exact Mass287.21
IUPAC NameN-[[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]methyl]propan-2-amine
SMILESCc1cc2c(N3CCC(CNC(C)C)CC3)nccn2n1
InChIInChI=1S/C16H25N5/c1-12(2)18-11-14-4-7-20(8-5-14)16-15-10-13(3)19-21(15)9-6-17-16/h6,9-10,12,14,18H,4-5,7-8,11H2,1-3H3
InChIKeyQWYYMVGWWUAZMU-UHFFFAOYSA-N
XLogP2.25
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]methyl]propan-2-amine (CID 104733601) is N-[[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]methyl]propan-2-amine is Cc1cc2c(N3CCC(CNC(C)C)CC3)nccn2n1.
What is the InChIKey of N-[[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]methyl]propan-2-amine?
The InChIKey is QWYYMVGWWUAZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5/c1-12(2)18-11-14-4-7-20(8-5-14)16-15-10-13(3)19-21(15)9-6-17-16/h6,9-10,12,14,18H,4-5,7-8,11H2,1-3H3.
What are the key properties of N-[[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]methyl]propan-2-amine?
N-[[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]methyl]propan-2-amine has a molecular weight of 287.41 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 104733601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).