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

C14H19N3S — CID 112549346

IUPACN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methylsulfanylaniline
SMILESCCc1nn(C)cc1CNc1ccc(SC)cc1
InChIInChI=1S/C14H19N3S/c1-4-14-11(10-17(2)16-14)9-15-12-5-7-13(18-3)8-6-12/h5-8,10,15H,4,9H2,1-3H3
InChIKeyCTQCWLLQTYTIGF-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.32
Rot. Bonds5

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

N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methylsulfanylaniline (PubChem CID 112549346) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methylsulfanylaniline.

Molecular Properties

Compound NameN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methylsulfanylaniline
PubChem CID112549346
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC NameN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methylsulfanylaniline
SMILESCCc1nn(C)cc1CNc1ccc(SC)cc1
InChIInChI=1S/C14H19N3S/c1-4-14-11(10-17(2)16-14)9-15-12-5-7-13(18-3)8-6-12/h5-8,10,15H,4,9H2,1-3H3
InChIKeyCTQCWLLQTYTIGF-UHFFFAOYSA-N
XLogP3.32
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]phenol
CID 112668893
N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-4-methylsulfanylaniline
CID 43759218
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methylsulfonylaniline
CID 115989506
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
4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-N-methylbenzenesulfonamide
CID 115989655
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-fluoro-3-(trifluoromethyl)aniline
CID 115989727
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3,5-dimethylaniline
CID 112549337
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
1-ethyl-5-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]pyridin-2-one
CID 112668948
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-fluoro-3-methoxyaniline
CID 114838534

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methylsulfanylaniline?
The IUPAC name of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methylsulfanylaniline (CID 112549346) is N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methylsulfanylaniline.
What is the SMILES notation for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methylsulfanylaniline?
The canonical SMILES for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methylsulfanylaniline is CCc1nn(C)cc1CNc1ccc(SC)cc1.
What is the InChIKey of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methylsulfanylaniline?
The InChIKey is CTQCWLLQTYTIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-4-14-11(10-17(2)16-14)9-15-12-5-7-13(18-3)8-6-12/h5-8,10,15H,4,9H2,1-3H3.
What are the key properties of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methylsulfanylaniline?
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methylsulfanylaniline has a molecular weight of 261.39 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methylsulfanylaniline is sourced from PubChem (CID 112549346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).