1-(1-methylpiperidin-4-yl)pyrazol-4-amine

C9H16N4 — CID 53302346

IUPAC1-(1-methylpiperidin-4-yl)pyrazol-4-amine
SMILESCN1CCC(n2cc(N)cn2)CC1
InChIInChI=1S/C9H16N4/c1-12-4-2-9(3-5-12)13-7-8(10)6-11-13/h6-7,9H,2-5,10H2,1H3
InChIKeyXSXZKGLWPRJOMM-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.73
Rot. Bonds1

About 1-(1-methylpiperidin-4-yl)pyrazol-4-amine

1-(1-methylpiperidin-4-yl)pyrazol-4-amine (PubChem CID 53302346) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-(1-methylpiperidin-4-yl)pyrazol-4-amine.

Molecular Properties

Compound Name1-(1-methylpiperidin-4-yl)pyrazol-4-amine
PubChem CID53302346
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name1-(1-methylpiperidin-4-yl)pyrazol-4-amine
SMILESCN1CCC(n2cc(N)cn2)CC1
InChIInChI=1S/C9H16N4/c1-12-4-2-9(3-5-12)13-7-8(10)6-11-13/h6-7,9H,2-5,10H2,1H3
InChIKeyXSXZKGLWPRJOMM-UHFFFAOYSA-N
XLogP0.73
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpiperidin-4-yl)pyrazol-4-amine?
The IUPAC name of 1-(1-methylpiperidin-4-yl)pyrazol-4-amine (CID 53302346) is 1-(1-methylpiperidin-4-yl)pyrazol-4-amine.
What is the SMILES notation for 1-(1-methylpiperidin-4-yl)pyrazol-4-amine?
The canonical SMILES for 1-(1-methylpiperidin-4-yl)pyrazol-4-amine is CN1CCC(n2cc(N)cn2)CC1.
What is the InChIKey of 1-(1-methylpiperidin-4-yl)pyrazol-4-amine?
The InChIKey is XSXZKGLWPRJOMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-12-4-2-9(3-5-12)13-7-8(10)6-11-13/h6-7,9H,2-5,10H2,1H3.
What are the key properties of 1-(1-methylpiperidin-4-yl)pyrazol-4-amine?
1-(1-methylpiperidin-4-yl)pyrazol-4-amine has a molecular weight of 180.25 g/mol, XLogP of 0.73, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpiperidin-4-yl)pyrazol-4-amine is sourced from PubChem (CID 53302346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).