1-butyl-4-methylsulfonyl-3-piperidin-1-ylpyrazol-5-amine

C13H24N4O2S — CID 102826038

IUPAC1-butyl-4-methylsulfonyl-3-piperidin-1-ylpyrazol-5-amine
SMILESCCCCn1nc(N2CCCCC2)c(S(C)(=O)=O)c1N
InChIInChI=1S/C13H24N4O2S/c1-3-4-10-17-12(14)11(20(2,18)19)13(15-17)16-8-6-5-7-9-16/h3-10,14H2,1-2H3
InChIKeyQYLFIJXJELMQTE-UHFFFAOYSA-N
MW300.43 g/mol
LogP1.66
Rot. Bonds5

About 1-butyl-4-methylsulfonyl-3-piperidin-1-ylpyrazol-5-amine

1-butyl-4-methylsulfonyl-3-piperidin-1-ylpyrazol-5-amine (PubChem CID 102826038) has the molecular formula C13H24N4O2S and a molecular weight of 300.43 g/mol. Its IUPAC name is 1-butyl-4-methylsulfonyl-3-piperidin-1-ylpyrazol-5-amine.

Molecular Properties

Compound Name1-butyl-4-methylsulfonyl-3-piperidin-1-ylpyrazol-5-amine
PubChem CID102826038
Molecular FormulaC13H24N4O2S
Molecular Weight300.43 g/mol
Exact Mass300.16
IUPAC Name1-butyl-4-methylsulfonyl-3-piperidin-1-ylpyrazol-5-amine
SMILESCCCCn1nc(N2CCCCC2)c(S(C)(=O)=O)c1N
InChIInChI=1S/C13H24N4O2S/c1-3-4-10-17-12(14)11(20(2,18)19)13(15-17)16-8-6-5-7-9-16/h3-10,14H2,1-2H3
InChIKeyQYLFIJXJELMQTE-UHFFFAOYSA-N
XLogP1.66
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 ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(5-amino-4-methylsulfonyl-3-piperidin-1-ylpyrazol-1-yl)acetic acid
CID 102826316
3-[(3R)-3-methylpiperazin-1-yl]-4-methylsulfonyl-1-propylpyrazol-5-amine
CID 102825945
2-[5-amino-3-(4-methylpiperidin-1-yl)-4-methylsulfonylpyrazol-1-yl]ethanol
CID 102825422
1-(3-methylbutyl)-4-methylsulfonyl-3-morpholin-4-ylpyrazol-5-amine
CID 102826141
2-[5-amino-3-(3-aminopiperidin-1-yl)-4-methylsulfonylpyrazol-1-yl]ethanol
CID 102825444
1-butyl-3-N-(2-methylpropyl)-4-methylsulfonylpyrazole-3,5-diamine
CID 102826037
1-methyl-3-(4-methylpiperazin-1-yl)-4-methylsulfonylpyrazol-5-amine
CID 102825511
1-tert-butyl-3-(4-methylpiperazin-1-yl)-4-methylsulfonylpyrazol-5-amine
CID 102825662
1-butan-2-yl-4-methylsulfonyl-3-piperazin-1-ylpyrazol-5-amine
CID 102826070
2-[5-amino-3-[(3S)-3-methylpiperazin-1-yl]-4-methylsulfonylpyrazol-1-yl]acetic acid
CID 102826319
1-tert-butyl-4-methylsulfonyl-3-morpholin-4-ylpyrazol-5-amine
CID 102825657
1-(2-ethylsulfonylethyl)-3-N,3-N-dimethyl-4-methylsulfonylpyrazole-3,5-diamine
CID 102826350

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-methylsulfonyl-3-piperidin-1-ylpyrazol-5-amine?
The IUPAC name of 1-butyl-4-methylsulfonyl-3-piperidin-1-ylpyrazol-5-amine (CID 102826038) is 1-butyl-4-methylsulfonyl-3-piperidin-1-ylpyrazol-5-amine.
What is the SMILES notation for 1-butyl-4-methylsulfonyl-3-piperidin-1-ylpyrazol-5-amine?
The canonical SMILES for 1-butyl-4-methylsulfonyl-3-piperidin-1-ylpyrazol-5-amine is CCCCn1nc(N2CCCCC2)c(S(C)(=O)=O)c1N.
What is the InChIKey of 1-butyl-4-methylsulfonyl-3-piperidin-1-ylpyrazol-5-amine?
The InChIKey is QYLFIJXJELMQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S/c1-3-4-10-17-12(14)11(20(2,18)19)13(15-17)16-8-6-5-7-9-16/h3-10,14H2,1-2H3.
What are the key properties of 1-butyl-4-methylsulfonyl-3-piperidin-1-ylpyrazol-5-amine?
1-butyl-4-methylsulfonyl-3-piperidin-1-ylpyrazol-5-amine has a molecular weight of 300.43 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-methylsulfonyl-3-piperidin-1-ylpyrazol-5-amine is sourced from PubChem (CID 102826038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).