[5-(3,5-dimethylpiperidin-1-yl)-1,3-dimethylpyrazol-4-yl]methanamine

C13H24N4 — CID 43122265

IUPAC[5-(3,5-dimethylpiperidin-1-yl)-1,3-dimethylpyrazol-4-yl]methanamine
SMILESCc1nn(C)c(N2CC(C)CC(C)C2)c1CN
InChIInChI=1S/C13H24N4/c1-9-5-10(2)8-17(7-9)13-12(6-14)11(3)15-16(13)4/h9-10H,5-8,14H2,1-4H3
InChIKeyQRUQOQZQYHUGCT-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.67
Rot. Bonds2

About [5-(3,5-dimethylpiperidin-1-yl)-1,3-dimethylpyrazol-4-yl]methanamine

[5-(3,5-dimethylpiperidin-1-yl)-1,3-dimethylpyrazol-4-yl]methanamine (PubChem CID 43122265) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is [5-(3,5-dimethylpiperidin-1-yl)-1,3-dimethylpyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-(3,5-dimethylpiperidin-1-yl)-1,3-dimethylpyrazol-4-yl]methanamine
PubChem CID43122265
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name[5-(3,5-dimethylpiperidin-1-yl)-1,3-dimethylpyrazol-4-yl]methanamine
SMILESCc1nn(C)c(N2CC(C)CC(C)C2)c1CN
InChIInChI=1S/C13H24N4/c1-9-5-10(2)8-17(7-9)13-12(6-14)11(3)15-16(13)4/h9-10H,5-8,14H2,1-4H3
InChIKeyQRUQOQZQYHUGCT-UHFFFAOYSA-N
XLogP1.67
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(3,5-dimethylpiperidin-1-yl)-1,3-dimethylpyrazol-4-yl]methanamine?
The IUPAC name of [5-(3,5-dimethylpiperidin-1-yl)-1,3-dimethylpyrazol-4-yl]methanamine (CID 43122265) is [5-(3,5-dimethylpiperidin-1-yl)-1,3-dimethylpyrazol-4-yl]methanamine.
What is the SMILES notation for [5-(3,5-dimethylpiperidin-1-yl)-1,3-dimethylpyrazol-4-yl]methanamine?
The canonical SMILES for [5-(3,5-dimethylpiperidin-1-yl)-1,3-dimethylpyrazol-4-yl]methanamine is Cc1nn(C)c(N2CC(C)CC(C)C2)c1CN.
What is the InChIKey of [5-(3,5-dimethylpiperidin-1-yl)-1,3-dimethylpyrazol-4-yl]methanamine?
The InChIKey is QRUQOQZQYHUGCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-9-5-10(2)8-17(7-9)13-12(6-14)11(3)15-16(13)4/h9-10H,5-8,14H2,1-4H3.
What are the key properties of [5-(3,5-dimethylpiperidin-1-yl)-1,3-dimethylpyrazol-4-yl]methanamine?
[5-(3,5-dimethylpiperidin-1-yl)-1,3-dimethylpyrazol-4-yl]methanamine has a molecular weight of 236.36 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,5-dimethylpiperidin-1-yl)-1,3-dimethylpyrazol-4-yl]methanamine is sourced from PubChem (CID 43122265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).