N-[1-(4-cyclopentylsulfonylphenyl)ethyl]-1-methylpyrazol-4-amine

C17H23N3O2S — CID 86793729

IUPACN-[1-(4-cyclopentylsulfonylphenyl)ethyl]-1-methylpyrazol-4-amine
SMILESCC(Nc1cnn(C)c1)c1ccc(S(=O)(=O)C2CCCC2)cc1
InChIInChI=1S/C17H23N3O2S/c1-13(19-15-11-18-20(2)12-15)14-7-9-17(10-8-14)23(21,22)16-5-3-4-6-16/h7-13,16,19H,3-6H2,1-2H3
InChIKeyUDKXCHYFOLLHAZ-UHFFFAOYSA-N
MW333.46 g/mol
LogP3.31
Rot. Bonds5

About N-[1-(4-cyclopentylsulfonylphenyl)ethyl]-1-methylpyrazol-4-amine

N-[1-(4-cyclopentylsulfonylphenyl)ethyl]-1-methylpyrazol-4-amine (PubChem CID 86793729) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is N-[1-(4-cyclopentylsulfonylphenyl)ethyl]-1-methylpyrazol-4-amine.

Molecular Properties

Compound NameN-[1-(4-cyclopentylsulfonylphenyl)ethyl]-1-methylpyrazol-4-amine
PubChem CID86793729
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC NameN-[1-(4-cyclopentylsulfonylphenyl)ethyl]-1-methylpyrazol-4-amine
SMILESCC(Nc1cnn(C)c1)c1ccc(S(=O)(=O)C2CCCC2)cc1
InChIInChI=1S/C17H23N3O2S/c1-13(19-15-11-18-20(2)12-15)14-7-9-17(10-8-14)23(21,22)16-5-3-4-6-16/h7-13,16,19H,3-6H2,1-2H3
InChIKeyUDKXCHYFOLLHAZ-UHFFFAOYSA-N
XLogP3.31
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-cyclopentylsulfonylphenyl)ethyl]-1-methylpyrazol-4-amine?
The IUPAC name of N-[1-(4-cyclopentylsulfonylphenyl)ethyl]-1-methylpyrazol-4-amine (CID 86793729) is N-[1-(4-cyclopentylsulfonylphenyl)ethyl]-1-methylpyrazol-4-amine.
What is the SMILES notation for N-[1-(4-cyclopentylsulfonylphenyl)ethyl]-1-methylpyrazol-4-amine?
The canonical SMILES for N-[1-(4-cyclopentylsulfonylphenyl)ethyl]-1-methylpyrazol-4-amine is CC(Nc1cnn(C)c1)c1ccc(S(=O)(=O)C2CCCC2)cc1.
What is the InChIKey of N-[1-(4-cyclopentylsulfonylphenyl)ethyl]-1-methylpyrazol-4-amine?
The InChIKey is UDKXCHYFOLLHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-13(19-15-11-18-20(2)12-15)14-7-9-17(10-8-14)23(21,22)16-5-3-4-6-16/h7-13,16,19H,3-6H2,1-2H3.
What are the key properties of N-[1-(4-cyclopentylsulfonylphenyl)ethyl]-1-methylpyrazol-4-amine?
N-[1-(4-cyclopentylsulfonylphenyl)ethyl]-1-methylpyrazol-4-amine has a molecular weight of 333.46 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-cyclopentylsulfonylphenyl)ethyl]-1-methylpyrazol-4-amine is sourced from PubChem (CID 86793729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).