N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methylsulfonylaniline

C14H19N3O2S — CID 115989506

IUPACN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methylsulfonylaniline
SMILESCCc1nn(C)cc1CNc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C14H19N3O2S/c1-4-14-11(10-17(2)16-14)9-15-12-5-7-13(8-6-12)20(3,18)19/h5-8,10,15H,4,9H2,1-3H3
InChIKeyGYHCUXRPBDEPJM-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.00
Rot. Bonds5

About N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methylsulfonylaniline

N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methylsulfonylaniline (PubChem CID 115989506) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methylsulfonylaniline.

Molecular Properties

Compound NameN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methylsulfonylaniline
PubChem CID115989506
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC NameN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methylsulfonylaniline
SMILESCCc1nn(C)cc1CNc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C14H19N3O2S/c1-4-14-11(10-17(2)16-14)9-15-12-5-7-13(8-6-12)20(3,18)19/h5-8,10,15H,4,9H2,1-3H3
InChIKeyGYHCUXRPBDEPJM-UHFFFAOYSA-N
XLogP2.00
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 ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-N-methylbenzenesulfonamide
CID 115989655
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methylsulfanylaniline
CID 112549346
4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]phenol
CID 112668893
2-[4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]phenyl]ethanol
CID 112549620
2-[4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]phenyl]acetonitrile
CID 75499917
1-ethyl-5-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]pyridin-2-one
CID 112668948
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methylsulfonylpyridin-2-amine
CID 114599022
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3,5-dimethylaniline
CID 112549337
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-fluoro-4-nitroaniline
CID 115989797
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]thiophen-3-amine
CID 112669078
4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-2-methylphenol
CID 112669125
4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-3-fluorobenzenesulfonamide
CID 115990498

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methylsulfonylaniline?
The IUPAC name of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methylsulfonylaniline (CID 115989506) is N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methylsulfonylaniline.
What is the SMILES notation for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methylsulfonylaniline?
The canonical SMILES for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methylsulfonylaniline is CCc1nn(C)cc1CNc1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methylsulfonylaniline?
The InChIKey is GYHCUXRPBDEPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-4-14-11(10-17(2)16-14)9-15-12-5-7-13(8-6-12)20(3,18)19/h5-8,10,15H,4,9H2,1-3H3.
What are the key properties of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methylsulfonylaniline?
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methylsulfonylaniline has a molecular weight of 293.39 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methylsulfonylaniline is sourced from PubChem (CID 115989506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).