2-(1-methylpiperidin-4-yl)pyrazol-3-amine

C9H16N4 — CID 1084924

IUPAC2-(1-methylpiperidin-4-yl)pyrazol-3-amine
SMILESCN1CCC(n2nccc2N)CC1
InChIInChI=1S/C9H16N4/c1-12-6-3-8(4-7-12)13-9(10)2-5-11-13/h2,5,8H,3-4,6-7,10H2,1H3
InChIKeyQCNNKYQIYTZXJX-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.73
Rot. Bonds1

About 2-(1-methylpiperidin-4-yl)pyrazol-3-amine

2-(1-methylpiperidin-4-yl)pyrazol-3-amine (PubChem CID 1084924) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-(1-methylpiperidin-4-yl)pyrazol-3-amine.

Molecular Properties

Compound Name2-(1-methylpiperidin-4-yl)pyrazol-3-amine
PubChem CID1084924
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name2-(1-methylpiperidin-4-yl)pyrazol-3-amine
SMILESCN1CCC(n2nccc2N)CC1
InChIInChI=1S/C9H16N4/c1-12-6-3-8(4-7-12)13-9(10)2-5-11-13/h2,5,8H,3-4,6-7,10H2,1H3
InChIKeyQCNNKYQIYTZXJX-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 2-(1-methylpiperidin-4-yl)pyrazol-3-amine?
The IUPAC name of 2-(1-methylpiperidin-4-yl)pyrazol-3-amine (CID 1084924) is 2-(1-methylpiperidin-4-yl)pyrazol-3-amine.
What is the SMILES notation for 2-(1-methylpiperidin-4-yl)pyrazol-3-amine?
The canonical SMILES for 2-(1-methylpiperidin-4-yl)pyrazol-3-amine is CN1CCC(n2nccc2N)CC1.
What is the InChIKey of 2-(1-methylpiperidin-4-yl)pyrazol-3-amine?
The InChIKey is QCNNKYQIYTZXJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-12-6-3-8(4-7-12)13-9(10)2-5-11-13/h2,5,8H,3-4,6-7,10H2,1H3.
What are the key properties of 2-(1-methylpiperidin-4-yl)pyrazol-3-amine?
2-(1-methylpiperidin-4-yl)pyrazol-3-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 2-(1-methylpiperidin-4-yl)pyrazol-3-amine is sourced from PubChem (CID 1084924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).