1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-amine

C9H16N4 — CID 75480354

IUPAC1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-amine
SMILESCc1cc(N2CCC(N)CC2)n[nH]1
InChIInChI=1S/C9H16N4/c1-7-6-9(12-11-7)13-4-2-8(10)3-5-13/h6,8H,2-5,10H2,1H3,(H,11,12)
InChIKeyHQGTWFNPNNGMJL-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.65
Rot. Bonds1

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

1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-amine (PubChem CID 75480354) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-amine
PubChem CID75480354
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-amine
SMILESCc1cc(N2CCC(N)CC2)n[nH]1
InChIInChI=1S/C9H16N4/c1-7-6-9(12-11-7)13-4-2-8(10)3-5-13/h6,8H,2-5,10H2,1H3,(H,11,12)
InChIKeyHQGTWFNPNNGMJL-UHFFFAOYSA-N
XLogP0.65
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 ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-amine?
The IUPAC name of 1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-amine (CID 75480354) is 1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-amine.
What is the SMILES notation for 1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-amine?
The canonical SMILES for 1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-amine is Cc1cc(N2CCC(N)CC2)n[nH]1.
What is the InChIKey of 1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-amine?
The InChIKey is HQGTWFNPNNGMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-7-6-9(12-11-7)13-4-2-8(10)3-5-13/h6,8H,2-5,10H2,1H3,(H,11,12).
What are the key properties of 1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-amine?
1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-amine has a molecular weight of 180.25 g/mol, XLogP of 0.65, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-amine is sourced from PubChem (CID 75480354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).