1,5-dimethyl-4-(4-propan-2-ylpiperidin-1-yl)sulfonylpyrazol-3-amine

C13H24N4O2S — CID 103504988

IUPAC1,5-dimethyl-4-(4-propan-2-ylpiperidin-1-yl)sulfonylpyrazol-3-amine
SMILESCc1c(S(=O)(=O)N2CCC(C(C)C)CC2)c(N)nn1C
InChIInChI=1S/C13H24N4O2S/c1-9(2)11-5-7-17(8-6-11)20(18,19)12-10(3)16(4)15-13(12)14/h9,11H,5-8H2,1-4H3,(H2,14,15)
InChIKeyOMPQTATVJDLCOW-UHFFFAOYSA-N
MW300.43 g/mol
LogP1.37
Rot. Bonds3

About 1,5-dimethyl-4-(4-propan-2-ylpiperidin-1-yl)sulfonylpyrazol-3-amine

1,5-dimethyl-4-(4-propan-2-ylpiperidin-1-yl)sulfonylpyrazol-3-amine (PubChem CID 103504988) has the molecular formula C13H24N4O2S and a molecular weight of 300.43 g/mol. Its IUPAC name is 1,5-dimethyl-4-(4-propan-2-ylpiperidin-1-yl)sulfonylpyrazol-3-amine.

Molecular Properties

Compound Name1,5-dimethyl-4-(4-propan-2-ylpiperidin-1-yl)sulfonylpyrazol-3-amine
PubChem CID103504988
Molecular FormulaC13H24N4O2S
Molecular Weight300.43 g/mol
Exact Mass300.16
IUPAC Name1,5-dimethyl-4-(4-propan-2-ylpiperidin-1-yl)sulfonylpyrazol-3-amine
SMILESCc1c(S(=O)(=O)N2CCC(C(C)C)CC2)c(N)nn1C
InChIInChI=1S/C13H24N4O2S/c1-9(2)11-5-7-17(8-6-11)20(18,19)12-10(3)16(4)15-13(12)14/h9,11H,5-8H2,1-4H3,(H2,14,15)
InChIKeyOMPQTATVJDLCOW-UHFFFAOYSA-N
XLogP1.37
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N,1,5-trimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 105358452
3-amino-N-butyl-1,5-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 105358505
3-amino-1,5-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 105358506
3-amino-1,5-dimethyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 105358515
3-amino-1,5-dimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 105358547
1,5-Dimethyl-4-[3-(trifluoromethyl)piperidin-1-yl]sulfonylpyrazol-3-amine
CID 105358655
3-amino-N-ethyl-1,5-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 105358766
3-amino-N,1,5-trimethyl-N-(3,3,3-trifluoropropyl)pyrazole-4-sulfonamide
CID 105359038
1,5-Dimethyl-4-[4-(trifluoromethyl)piperidin-1-yl]sulfonylpyrazol-3-amine
CID 105359039
3-amino-1,5-dimethyl-N-(5,5,5-trifluoropentyl)pyrazole-4-sulfonamide
CID 105359161
3-amino-N-(2,2-difluoroethyl)-N,1,5-trimethylpyrazole-4-sulfonamide
CID 113707249
1-[(5-Fluoro-1,3-dimethyl-1H-pyrazol-4-YL)sulfonyl]-3-methylpiperidine
CID 155881837

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-4-(4-propan-2-ylpiperidin-1-yl)sulfonylpyrazol-3-amine?
The IUPAC name of 1,5-dimethyl-4-(4-propan-2-ylpiperidin-1-yl)sulfonylpyrazol-3-amine (CID 103504988) is 1,5-dimethyl-4-(4-propan-2-ylpiperidin-1-yl)sulfonylpyrazol-3-amine.
What is the SMILES notation for 1,5-dimethyl-4-(4-propan-2-ylpiperidin-1-yl)sulfonylpyrazol-3-amine?
The canonical SMILES for 1,5-dimethyl-4-(4-propan-2-ylpiperidin-1-yl)sulfonylpyrazol-3-amine is Cc1c(S(=O)(=O)N2CCC(C(C)C)CC2)c(N)nn1C.
What is the InChIKey of 1,5-dimethyl-4-(4-propan-2-ylpiperidin-1-yl)sulfonylpyrazol-3-amine?
The InChIKey is OMPQTATVJDLCOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S/c1-9(2)11-5-7-17(8-6-11)20(18,19)12-10(3)16(4)15-13(12)14/h9,11H,5-8H2,1-4H3,(H2,14,15).
What are the key properties of 1,5-dimethyl-4-(4-propan-2-ylpiperidin-1-yl)sulfonylpyrazol-3-amine?
1,5-dimethyl-4-(4-propan-2-ylpiperidin-1-yl)sulfonylpyrazol-3-amine has a molecular weight of 300.43 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-4-(4-propan-2-ylpiperidin-1-yl)sulfonylpyrazol-3-amine is sourced from PubChem (CID 103504988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).