2-ethylsulfonyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]ethanamine

C14H19N3O2S — CID 103643047

IUPAC2-ethylsulfonyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]ethanamine
SMILESCCS(=O)(=O)CCNCc1cn[nH]c1-c1ccccc1
InChIInChI=1S/C14H19N3O2S/c1-2-20(18,19)9-8-15-10-13-11-16-17-14(13)12-6-4-3-5-7-12/h3-7,11,15H,2,8-10H2,1H3,(H,16,17)
InChIKeyIZCHQRWRGPJNDH-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.60
Rot. Bonds7

About 2-ethylsulfonyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]ethanamine

2-ethylsulfonyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]ethanamine (PubChem CID 103643047) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 2-ethylsulfonyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-ethylsulfonyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]ethanamine
PubChem CID103643047
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name2-ethylsulfonyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]ethanamine
SMILESCCS(=O)(=O)CCNCc1cn[nH]c1-c1ccccc1
InChIInChI=1S/C14H19N3O2S/c1-2-20(18,19)9-8-15-10-13-11-16-17-14(13)12-6-4-3-5-7-12/h3-7,11,15H,2,8-10H2,1H3,(H,16,17)
InChIKeyIZCHQRWRGPJNDH-UHFFFAOYSA-N
XLogP1.60
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]butan-1-amine
CID 115616849
1-(2-chlorophenyl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine
CID 60662974
2-[(5-phenyl-1H-pyrazol-4-yl)methylamino]-N-propylacetamide
CID 60663784
3-methylsulfinyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]butan-1-amine
CID 115711581
ethyl 4-[(5-phenyl-1H-pyrazol-4-yl)methylamino]butanoate
CID 64578922
N'-phenyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propane-1,3-diamine
CID 166195819
1-[(5-phenyl-1H-pyrazol-4-yl)methylamino]propan-2-ol
CID 3969875
2-[(R)-benzylsulfinyl]-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 95341788
3-(2,6-dimethylmorpholin-4-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 56807387
N,N-dimethyl-2-[(5-phenyl-1H-pyrazol-4-yl)methylamino]acetamide
CID 60664694
N'-(2-methoxyethyl)-N'-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine
CID 62843067
2-ethoxy-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 115655543

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]ethanamine?
The IUPAC name of 2-ethylsulfonyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]ethanamine (CID 103643047) is 2-ethylsulfonyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]ethanamine.
What is the SMILES notation for 2-ethylsulfonyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]ethanamine?
The canonical SMILES for 2-ethylsulfonyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]ethanamine is CCS(=O)(=O)CCNCc1cn[nH]c1-c1ccccc1.
What is the InChIKey of 2-ethylsulfonyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]ethanamine?
The InChIKey is IZCHQRWRGPJNDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-2-20(18,19)9-8-15-10-13-11-16-17-14(13)12-6-4-3-5-7-12/h3-7,11,15H,2,8-10H2,1H3,(H,16,17).
What are the key properties of 2-ethylsulfonyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]ethanamine?
2-ethylsulfonyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]ethanamine has a molecular weight of 293.39 g/mol, XLogP of 1.60, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 103643047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).