1-[1-(2-propan-2-ylsulfonylethyl)piperidin-4-yl]pyrazol-3-amine

C13H24N4O2S — CID 107109951

IUPAC1-[1-(2-propan-2-ylsulfonylethyl)piperidin-4-yl]pyrazol-3-amine
SMILESCC(C)S(=O)(=O)CCN1CCC(n2ccc(N)n2)CC1
InChIInChI=1S/C13H24N4O2S/c1-11(2)20(18,19)10-9-16-6-3-12(4-7-16)17-8-5-13(14)15-17/h5,8,11-12H,3-4,6-7,9-10H2,1-2H3,(H2,14,15)
InChIKeyPAYQLDLIANACFD-UHFFFAOYSA-N
MW300.43 g/mol
LogP0.93
Rot. Bonds5

About 1-[1-(2-propan-2-ylsulfonylethyl)piperidin-4-yl]pyrazol-3-amine

1-[1-(2-propan-2-ylsulfonylethyl)piperidin-4-yl]pyrazol-3-amine (PubChem CID 107109951) has the molecular formula C13H24N4O2S and a molecular weight of 300.43 g/mol. Its IUPAC name is 1-[1-(2-propan-2-ylsulfonylethyl)piperidin-4-yl]pyrazol-3-amine.

Molecular Properties

Compound Name1-[1-(2-propan-2-ylsulfonylethyl)piperidin-4-yl]pyrazol-3-amine
PubChem CID107109951
Molecular FormulaC13H24N4O2S
Molecular Weight300.43 g/mol
Exact Mass300.16
IUPAC Name1-[1-(2-propan-2-ylsulfonylethyl)piperidin-4-yl]pyrazol-3-amine
SMILESCC(C)S(=O)(=O)CCN1CCC(n2ccc(N)n2)CC1
InChIInChI=1S/C13H24N4O2S/c1-11(2)20(18,19)10-9-16-6-3-12(4-7-16)17-8-5-13(14)15-17/h5,8,11-12H,3-4,6-7,9-10H2,1-2H3,(H2,14,15)
InChIKeyPAYQLDLIANACFD-UHFFFAOYSA-N
XLogP0.93
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-(4-methylpentyl)piperidin-4-yl]pyrazol-3-amine
CID 107109773
1-[1-(2-cyclopropylethyl)piperidin-4-yl]pyrazol-3-amine
CID 107109993
2-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 107110032
1-(1-heptylpiperidin-4-yl)pyrazol-3-amine
CID 107109683
1-(1-nonylpiperidin-4-yl)pyrazol-3-amine
CID 107109618
4-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-2-methylbutan-2-ol
CID 107109591
1-(2-propan-2-ylsulfonylethyl)piperidin-4-amine;hydrochloride
CID 119907593
1-[1-(2-butoxyethyl)piperidin-4-yl]pyrazol-3-amine
CID 107110055
1-[2-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]ethyl]imidazolidin-2-one
CID 107109700
4-(3-aminopyrazol-1-yl)-N-propan-2-ylpiperidine-1-carboxamide
CID 107109443
2-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-N-ethyl-N-methylacetamide
CID 107109646
1-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]pyrazol-3-amine
CID 107109728

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-propan-2-ylsulfonylethyl)piperidin-4-yl]pyrazol-3-amine?
The IUPAC name of 1-[1-(2-propan-2-ylsulfonylethyl)piperidin-4-yl]pyrazol-3-amine (CID 107109951) is 1-[1-(2-propan-2-ylsulfonylethyl)piperidin-4-yl]pyrazol-3-amine.
What is the SMILES notation for 1-[1-(2-propan-2-ylsulfonylethyl)piperidin-4-yl]pyrazol-3-amine?
The canonical SMILES for 1-[1-(2-propan-2-ylsulfonylethyl)piperidin-4-yl]pyrazol-3-amine is CC(C)S(=O)(=O)CCN1CCC(n2ccc(N)n2)CC1.
What is the InChIKey of 1-[1-(2-propan-2-ylsulfonylethyl)piperidin-4-yl]pyrazol-3-amine?
The InChIKey is PAYQLDLIANACFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S/c1-11(2)20(18,19)10-9-16-6-3-12(4-7-16)17-8-5-13(14)15-17/h5,8,11-12H,3-4,6-7,9-10H2,1-2H3,(H2,14,15).
What are the key properties of 1-[1-(2-propan-2-ylsulfonylethyl)piperidin-4-yl]pyrazol-3-amine?
1-[1-(2-propan-2-ylsulfonylethyl)piperidin-4-yl]pyrazol-3-amine has a molecular weight of 300.43 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-propan-2-ylsulfonylethyl)piperidin-4-yl]pyrazol-3-amine is sourced from PubChem (CID 107109951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).