3-ethyl-1-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]pyrazol-4-amine

C15H21N3O2S — CID 103932553

IUPAC3-ethyl-1-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]pyrazol-4-amine
SMILESCCc1nn(C)cc1NC(C)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C15H21N3O2S/c1-5-14-15(10-18(3)17-14)16-11(2)12-6-8-13(9-7-12)21(4,19)20/h6-11,16H,5H2,1-4H3
InChIKeySEUOUJUYPYKABB-UHFFFAOYSA-N
MW307.42 g/mol
LogP2.56
Rot. Bonds5

About 3-ethyl-1-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]pyrazol-4-amine

3-ethyl-1-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]pyrazol-4-amine (PubChem CID 103932553) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is 3-ethyl-1-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]pyrazol-4-amine.

Molecular Properties

Compound Name3-ethyl-1-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]pyrazol-4-amine
PubChem CID103932553
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name3-ethyl-1-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]pyrazol-4-amine
SMILESCCc1nn(C)cc1NC(C)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C15H21N3O2S/c1-5-14-15(10-18(3)17-14)16-11(2)12-6-8-13(9-7-12)21(4,19)20/h6-11,16H,5H2,1-4H3
InChIKeySEUOUJUYPYKABB-UHFFFAOYSA-N
XLogP2.56
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethyl-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-1-methylpyrazol-4-amine
CID 103932487
3-ethyl-1-methyl-N-(1-thiophen-2-ylethyl)pyrazol-4-amine
CID 115923197
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-ethyl-1-methylpyrazol-4-amine
CID 113354221
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methylsulfonylaniline
CID 115989506
3-ethyl-1-methyl-N-pentan-2-ylpyrazol-4-amine
CID 115923160
3-ethyl-1-methyl-N-(2-methylpentan-3-yl)pyrazol-4-amine
CID 115923153
4-[(3-ethyl-1-methylpyrazol-4-yl)amino]benzenesulfonamide
CID 107463553
2-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]aniline
CID 43196698
N-(1,1-dimethoxypropan-2-yl)-3-ethyl-1-methylpyrazol-4-amine
CID 107462393
3-ethyl-N-[1-(4-methoxyphenyl)propyl]-1-methylpyrazol-4-amine
CID 103932474
N-(3-ethyl-1-methylpyrazol-4-yl)-3-(1-hydroxyethyl)benzenesulfonamide
CID 107464429
ethyl 2-[(3-ethyl-1-methylpyrazol-4-yl)amino]propanoate
CID 104700571

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]pyrazol-4-amine?
The IUPAC name of 3-ethyl-1-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]pyrazol-4-amine (CID 103932553) is 3-ethyl-1-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]pyrazol-4-amine.
What is the SMILES notation for 3-ethyl-1-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]pyrazol-4-amine?
The canonical SMILES for 3-ethyl-1-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]pyrazol-4-amine is CCc1nn(C)cc1NC(C)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 3-ethyl-1-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]pyrazol-4-amine?
The InChIKey is SEUOUJUYPYKABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-5-14-15(10-18(3)17-14)16-11(2)12-6-8-13(9-7-12)21(4,19)20/h6-11,16H,5H2,1-4H3.
What are the key properties of 3-ethyl-1-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]pyrazol-4-amine?
3-ethyl-1-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]pyrazol-4-amine has a molecular weight of 307.42 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]pyrazol-4-amine is sourced from PubChem (CID 103932553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).