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

C9H16N4O2S — CID 125499170

IUPAC1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-amine
SMILESCS(=O)(=O)N1CCC(n2cc(N)cn2)CC1
InChIInChI=1S/C9H16N4O2S/c1-16(14,15)12-4-2-9(3-5-12)13-7-8(10)6-11-13/h6-7,9H,2-5,10H2,1H3
InChIKeyVQIJMIIADCZUFP-UHFFFAOYSA-N
MW244.32 g/mol
LogP0.06
Rot. Bonds2

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

1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-amine (PubChem CID 125499170) has the molecular formula C9H16N4O2S and a molecular weight of 244.32 g/mol. Its IUPAC name is 1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-amine.

Molecular Properties

Compound Name1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-amine
PubChem CID125499170
Molecular FormulaC9H16N4O2S
Molecular Weight244.32 g/mol
Exact Mass244.10
IUPAC Name1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-amine
SMILESCS(=O)(=O)N1CCC(n2cc(N)cn2)CC1
InChIInChI=1S/C9H16N4O2S/c1-16(14,15)12-4-2-9(3-5-12)13-7-8(10)6-11-13/h6-7,9H,2-5,10H2,1H3
InChIKeyVQIJMIIADCZUFP-UHFFFAOYSA-N
XLogP0.06
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-amine?
The IUPAC name of 1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-amine (CID 125499170) is 1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-amine.
What is the SMILES notation for 1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-amine?
The canonical SMILES for 1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-amine is CS(=O)(=O)N1CCC(n2cc(N)cn2)CC1.
What is the InChIKey of 1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-amine?
The InChIKey is VQIJMIIADCZUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2S/c1-16(14,15)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-methylsulfonylpiperidin-4-yl)pyrazol-4-amine?
1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-amine has a molecular weight of 244.32 g/mol, XLogP of 0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-amine is sourced from PubChem (CID 125499170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).