1-(benzenesulfonyl)-5-piperidin-4-ylpyrazol-3-amine

C14H18N4O2S — CID 155906890

IUPAC1-(benzenesulfonyl)-5-piperidin-4-ylpyrazol-3-amine
SMILESNc1cc(C2CCNCC2)n(S(=O)(=O)c2ccccc2)n1
InChIInChI=1S/C14H18N4O2S/c15-14-10-13(11-6-8-16-9-7-11)18(17-14)21(19,20)12-4-2-1-3-5-12/h1-5,10-11,16H,6-9H2,(H2,15,17)
InChIKeyTZSVIGVRZXCIKV-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.17
Rot. Bonds3

About 1-(benzenesulfonyl)-5-piperidin-4-ylpyrazol-3-amine

1-(benzenesulfonyl)-5-piperidin-4-ylpyrazol-3-amine (PubChem CID 155906890) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-5-piperidin-4-ylpyrazol-3-amine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-5-piperidin-4-ylpyrazol-3-amine
PubChem CID155906890
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name1-(benzenesulfonyl)-5-piperidin-4-ylpyrazol-3-amine
SMILESNc1cc(C2CCNCC2)n(S(=O)(=O)c2ccccc2)n1
InChIInChI=1S/C14H18N4O2S/c15-14-10-13(11-6-8-16-9-7-11)18(17-14)21(19,20)12-4-2-1-3-5-12/h1-5,10-11,16H,6-9H2,(H2,15,17)
InChIKeyTZSVIGVRZXCIKV-UHFFFAOYSA-N
XLogP1.17
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-5-piperidin-4-ylpyrazol-3-amine?
The IUPAC name of 1-(benzenesulfonyl)-5-piperidin-4-ylpyrazol-3-amine (CID 155906890) is 1-(benzenesulfonyl)-5-piperidin-4-ylpyrazol-3-amine.
What is the SMILES notation for 1-(benzenesulfonyl)-5-piperidin-4-ylpyrazol-3-amine?
The canonical SMILES for 1-(benzenesulfonyl)-5-piperidin-4-ylpyrazol-3-amine is Nc1cc(C2CCNCC2)n(S(=O)(=O)c2ccccc2)n1.
What is the InChIKey of 1-(benzenesulfonyl)-5-piperidin-4-ylpyrazol-3-amine?
The InChIKey is TZSVIGVRZXCIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c15-14-10-13(11-6-8-16-9-7-11)18(17-14)21(19,20)12-4-2-1-3-5-12/h1-5,10-11,16H,6-9H2,(H2,15,17).
What are the key properties of 1-(benzenesulfonyl)-5-piperidin-4-ylpyrazol-3-amine?
1-(benzenesulfonyl)-5-piperidin-4-ylpyrazol-3-amine has a molecular weight of 306.39 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-5-piperidin-4-ylpyrazol-3-amine is sourced from PubChem (CID 155906890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).