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

C9H16N4 — CID 115015720

IUPAC5-(4-methylpiperidin-4-yl)-1H-pyrazol-3-amine
SMILESCC1(c2cc(N)n[nH]2)CCNCC1
InChIInChI=1S/C9H16N4/c1-9(2-4-11-5-3-9)7-6-8(10)13-12-7/h6,11H,2-5H2,1H3,(H3,10,12,13)
InChIKeyPIGUFCIPXXUBLT-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.63
Rot. Bonds1

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

5-(4-methylpiperidin-4-yl)-1H-pyrazol-3-amine (PubChem CID 115015720) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 5-(4-methylpiperidin-4-yl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(4-methylpiperidin-4-yl)-1H-pyrazol-3-amine
PubChem CID115015720
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name5-(4-methylpiperidin-4-yl)-1H-pyrazol-3-amine
SMILESCC1(c2cc(N)n[nH]2)CCNCC1
InChIInChI=1S/C9H16N4/c1-9(2-4-11-5-3-9)7-6-8(10)13-12-7/h6,11H,2-5H2,1H3,(H3,10,12,13)
InChIKeyPIGUFCIPXXUBLT-UHFFFAOYSA-N
XLogP0.63
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylpiperidin-4-yl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(4-methylpiperidin-4-yl)-1H-pyrazol-3-amine (CID 115015720) is 5-(4-methylpiperidin-4-yl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(4-methylpiperidin-4-yl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(4-methylpiperidin-4-yl)-1H-pyrazol-3-amine is CC1(c2cc(N)n[nH]2)CCNCC1.
What is the InChIKey of 5-(4-methylpiperidin-4-yl)-1H-pyrazol-3-amine?
The InChIKey is PIGUFCIPXXUBLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-9(2-4-11-5-3-9)7-6-8(10)13-12-7/h6,11H,2-5H2,1H3,(H3,10,12,13).
What are the key properties of 5-(4-methylpiperidin-4-yl)-1H-pyrazol-3-amine?
5-(4-methylpiperidin-4-yl)-1H-pyrazol-3-amine has a molecular weight of 180.25 g/mol, XLogP of 0.63, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylpiperidin-4-yl)-1H-pyrazol-3-amine is sourced from PubChem (CID 115015720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).