N-(2-ethylsulfonylphenyl)-1-propan-2-ylpyrazol-4-amine

C14H19N3O2S — CID 62904622

IUPACN-(2-ethylsulfonylphenyl)-1-propan-2-ylpyrazol-4-amine
SMILESCCS(=O)(=O)c1ccccc1Nc1cnn(C(C)C)c1
InChIInChI=1S/C14H19N3O2S/c1-4-20(18,19)14-8-6-5-7-13(14)16-12-9-15-17(10-12)11(2)3/h5-11,16H,4H2,1-3H3
InChIKeyCHNSSYPAAQNXEJ-UHFFFAOYSA-N
MW293.39 g/mol
LogP3.00
Rot. Bonds5

About N-(2-ethylsulfonylphenyl)-1-propan-2-ylpyrazol-4-amine

N-(2-ethylsulfonylphenyl)-1-propan-2-ylpyrazol-4-amine (PubChem CID 62904622) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is N-(2-ethylsulfonylphenyl)-1-propan-2-ylpyrazol-4-amine.

Molecular Properties

Compound NameN-(2-ethylsulfonylphenyl)-1-propan-2-ylpyrazol-4-amine
PubChem CID62904622
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC NameN-(2-ethylsulfonylphenyl)-1-propan-2-ylpyrazol-4-amine
SMILESCCS(=O)(=O)c1ccccc1Nc1cnn(C(C)C)c1
InChIInChI=1S/C14H19N3O2S/c1-4-20(18,19)14-8-6-5-7-13(14)16-12-9-15-17(10-12)11(2)3/h5-11,16H,4H2,1-3H3
InChIKeyCHNSSYPAAQNXEJ-UHFFFAOYSA-N
XLogP3.00
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfonylphenyl)-1-propan-2-ylpyrazol-4-amine?
The IUPAC name of N-(2-ethylsulfonylphenyl)-1-propan-2-ylpyrazol-4-amine (CID 62904622) is N-(2-ethylsulfonylphenyl)-1-propan-2-ylpyrazol-4-amine.
What is the SMILES notation for N-(2-ethylsulfonylphenyl)-1-propan-2-ylpyrazol-4-amine?
The canonical SMILES for N-(2-ethylsulfonylphenyl)-1-propan-2-ylpyrazol-4-amine is CCS(=O)(=O)c1ccccc1Nc1cnn(C(C)C)c1.
What is the InChIKey of N-(2-ethylsulfonylphenyl)-1-propan-2-ylpyrazol-4-amine?
The InChIKey is CHNSSYPAAQNXEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-4-20(18,19)14-8-6-5-7-13(14)16-12-9-15-17(10-12)11(2)3/h5-11,16H,4H2,1-3H3.
What are the key properties of N-(2-ethylsulfonylphenyl)-1-propan-2-ylpyrazol-4-amine?
N-(2-ethylsulfonylphenyl)-1-propan-2-ylpyrazol-4-amine has a molecular weight of 293.39 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfonylphenyl)-1-propan-2-ylpyrazol-4-amine is sourced from PubChem (CID 62904622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).