5-(1-methylpiperidin-4-yl)-1H-pyrazol-3-amine

C9H16N4 — CID 115015725

IUPAC5-(1-methylpiperidin-4-yl)-1H-pyrazol-3-amine
SMILESCN1CCC(c2cc(N)n[nH]2)CC1
InChIInChI=1S/C9H16N4/c1-13-4-2-7(3-5-13)8-6-9(10)12-11-8/h6-7H,2-5H2,1H3,(H3,10,11,12)
InChIKeyHFITWIILBJCFJJ-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.80
Rot. Bonds1

About 5-(1-methylpiperidin-4-yl)-1H-pyrazol-3-amine

5-(1-methylpiperidin-4-yl)-1H-pyrazol-3-amine (PubChem CID 115015725) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 5-(1-methylpiperidin-4-yl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(1-methylpiperidin-4-yl)-1H-pyrazol-3-amine
PubChem CID115015725
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name5-(1-methylpiperidin-4-yl)-1H-pyrazol-3-amine
SMILESCN1CCC(c2cc(N)n[nH]2)CC1
InChIInChI=1S/C9H16N4/c1-13-4-2-7(3-5-13)8-6-9(10)12-11-8/h6-7H,2-5H2,1H3,(H3,10,11,12)
InChIKeyHFITWIILBJCFJJ-UHFFFAOYSA-N
XLogP0.80
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1-methylpiperidin-4-yl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(1-methylpiperidin-4-yl)-1H-pyrazol-3-amine (CID 115015725) is 5-(1-methylpiperidin-4-yl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(1-methylpiperidin-4-yl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(1-methylpiperidin-4-yl)-1H-pyrazol-3-amine is CN1CCC(c2cc(N)n[nH]2)CC1.
What is the InChIKey of 5-(1-methylpiperidin-4-yl)-1H-pyrazol-3-amine?
The InChIKey is HFITWIILBJCFJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-13-4-2-7(3-5-13)8-6-9(10)12-11-8/h6-7H,2-5H2,1H3,(H3,10,11,12).
What are the key properties of 5-(1-methylpiperidin-4-yl)-1H-pyrazol-3-amine?
5-(1-methylpiperidin-4-yl)-1H-pyrazol-3-amine has a molecular weight of 180.25 g/mol, XLogP of 0.80, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylpiperidin-4-yl)-1H-pyrazol-3-amine is sourced from PubChem (CID 115015725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).