N-[(2-ethylpyrazol-3-yl)methyl]-2-ethylsulfonylaniline

C14H19N3O2S — CID 114555359

IUPACN-[(2-ethylpyrazol-3-yl)methyl]-2-ethylsulfonylaniline
SMILESCCn1nccc1CNc1ccccc1S(=O)(=O)CC
InChIInChI=1S/C14H19N3O2S/c1-3-17-12(9-10-16-17)11-15-13-7-5-6-8-14(13)20(18,19)4-2/h5-10,15H,3-4,11H2,1-2H3
InChIKeyUPPQCBWBMGFBHX-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.31
Rot. Bonds6

About N-[(2-ethylpyrazol-3-yl)methyl]-2-ethylsulfonylaniline

N-[(2-ethylpyrazol-3-yl)methyl]-2-ethylsulfonylaniline (PubChem CID 114555359) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is N-[(2-ethylpyrazol-3-yl)methyl]-2-ethylsulfonylaniline.

Molecular Properties

Compound NameN-[(2-ethylpyrazol-3-yl)methyl]-2-ethylsulfonylaniline
PubChem CID114555359
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC NameN-[(2-ethylpyrazol-3-yl)methyl]-2-ethylsulfonylaniline
SMILESCCn1nccc1CNc1ccccc1S(=O)(=O)CC
InChIInChI=1S/C14H19N3O2S/c1-3-17-12(9-10-16-17)11-15-13-7-5-6-8-14(13)20(18,19)4-2/h5-10,15H,3-4,11H2,1-2H3
InChIKeyUPPQCBWBMGFBHX-UHFFFAOYSA-N
XLogP2.31
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-ethylpyrazol-3-yl)methyl]-2-methylpyridin-3-amine
CID 115762824
N-[(2-ethylpyrazol-3-yl)methyl]-2-ethylsulfanylaniline
CID 115762792
3-chloro-N-[(2-ethylpyrazol-3-yl)methyl]-2-methylaniline
CID 115762690
2-bromo-N-[(2-ethylpyrazol-3-yl)methyl]pyridin-3-amine
CID 104819748
N-[(2-methylpyrazol-3-yl)methyl]-2-methylsulfonylaniline
CID 43724692
4-bromo-N-[(2-ethylpyrazol-3-yl)methyl]naphthalen-1-amine
CID 114556070
N-[(2-ethylpyrazol-3-yl)methyl]-2-methyl-5-methylsulfonylaniline
CID 114555098
N-[(2,6-dichlorophenyl)methyl]-2-ethylsulfonylaniline
CID 43738191
2-ethylsulfonyl-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 43738150
N-[4-chloro-3-[(2-ethylpyrazol-3-yl)methylamino]phenyl]methanesulfonamide
CID 114555179
N-[(2-ethylpyrazol-3-yl)methyl]-2-pyrazol-1-ylpyridin-3-amine
CID 75505630
N-[(1-ethylpyrrol-3-yl)methyl]-2-ethylsulfonylaniline
CID 66416123

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylpyrazol-3-yl)methyl]-2-ethylsulfonylaniline?
The IUPAC name of N-[(2-ethylpyrazol-3-yl)methyl]-2-ethylsulfonylaniline (CID 114555359) is N-[(2-ethylpyrazol-3-yl)methyl]-2-ethylsulfonylaniline.
What is the SMILES notation for N-[(2-ethylpyrazol-3-yl)methyl]-2-ethylsulfonylaniline?
The canonical SMILES for N-[(2-ethylpyrazol-3-yl)methyl]-2-ethylsulfonylaniline is CCn1nccc1CNc1ccccc1S(=O)(=O)CC.
What is the InChIKey of N-[(2-ethylpyrazol-3-yl)methyl]-2-ethylsulfonylaniline?
The InChIKey is UPPQCBWBMGFBHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-3-17-12(9-10-16-17)11-15-13-7-5-6-8-14(13)20(18,19)4-2/h5-10,15H,3-4,11H2,1-2H3.
What are the key properties of N-[(2-ethylpyrazol-3-yl)methyl]-2-ethylsulfonylaniline?
N-[(2-ethylpyrazol-3-yl)methyl]-2-ethylsulfonylaniline has a molecular weight of 293.39 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylpyrazol-3-yl)methyl]-2-ethylsulfonylaniline is sourced from PubChem (CID 114555359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).