1-(2-aminoethyl)-N-[(4-ethylphenyl)methyl]pyrazole-4-sulfonamide

C14H20N4O2S — CID 106088936

IUPAC1-(2-aminoethyl)-N-[(4-ethylphenyl)methyl]pyrazole-4-sulfonamide
SMILESCCc1ccc(CNS(=O)(=O)c2cnn(CCN)c2)cc1
InChIInChI=1S/C14H20N4O2S/c1-2-12-3-5-13(6-4-12)9-17-21(19,20)14-10-16-18(11-14)8-7-15/h3-6,10-11,17H,2,7-9,15H2,1H3
InChIKeyMENYCSQDKLGFED-UHFFFAOYSA-N
MW308.41 g/mol
LogP0.88
Rot. Bonds7

About 1-(2-aminoethyl)-N-[(4-ethylphenyl)methyl]pyrazole-4-sulfonamide

1-(2-aminoethyl)-N-[(4-ethylphenyl)methyl]pyrazole-4-sulfonamide (PubChem CID 106088936) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N-[(4-ethylphenyl)methyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(2-aminoethyl)-N-[(4-ethylphenyl)methyl]pyrazole-4-sulfonamide
PubChem CID106088936
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Name1-(2-aminoethyl)-N-[(4-ethylphenyl)methyl]pyrazole-4-sulfonamide
SMILESCCc1ccc(CNS(=O)(=O)c2cnn(CCN)c2)cc1
InChIInChI=1S/C14H20N4O2S/c1-2-12-3-5-13(6-4-12)9-17-21(19,20)14-10-16-18(11-14)8-7-15/h3-6,10-11,17H,2,7-9,15H2,1H3
InChIKeyMENYCSQDKLGFED-UHFFFAOYSA-N
XLogP0.88
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-aminoethyl)-N-[(2-ethylphenyl)methyl]pyrazole-4-sulfonamide
CID 106067822
1-(2-aminoethyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-sulfonamide
CID 106018180
1-ethyl-N-[(4-fluorophenyl)methyl]pyrazole-4-sulfonamide
CID 19582268
1-(2-aminoethyl)-N-(1,2-oxazol-5-ylmethyl)pyrazole-4-sulfonamide
CID 106423982
1-ethyl-N-(pyridin-4-ylmethyl)pyrazole-4-sulfonamide
CID 19683256
1-(2-aminoethyl)-N-[2-(dimethylamino)propyl]pyrazole-4-sulfonamide
CID 106017137
1-ethyl-N-[(4-methoxyphenyl)methyl]pyrazole-4-sulfonamide
CID 6470938
1-(2-aminoethyl)-N-(3-methylbutyl)pyrazole-4-sulfonamide
CID 106059006
1-(2-aminoethyl)-N',N'-dimethylpyrazole-4-sulfonohydrazide
CID 106074651
1-(2-aminoethyl)-N-(2,2-difluoroethyl)pyrazole-4-sulfonamide
CID 115409125
2-[4-(4-ethylphenyl)pyrazol-1-yl]ethanamine
CID 82113702
5-(aminomethyl)-N-[(4-ethylphenyl)methyl]-1-methylpyrrole-3-sulfonamide
CID 106088937

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N-[(4-ethylphenyl)methyl]pyrazole-4-sulfonamide?
The IUPAC name of 1-(2-aminoethyl)-N-[(4-ethylphenyl)methyl]pyrazole-4-sulfonamide (CID 106088936) is 1-(2-aminoethyl)-N-[(4-ethylphenyl)methyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-(2-aminoethyl)-N-[(4-ethylphenyl)methyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-(2-aminoethyl)-N-[(4-ethylphenyl)methyl]pyrazole-4-sulfonamide is CCc1ccc(CNS(=O)(=O)c2cnn(CCN)c2)cc1.
What is the InChIKey of 1-(2-aminoethyl)-N-[(4-ethylphenyl)methyl]pyrazole-4-sulfonamide?
The InChIKey is MENYCSQDKLGFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-2-12-3-5-13(6-4-12)9-17-21(19,20)14-10-16-18(11-14)8-7-15/h3-6,10-11,17H,2,7-9,15H2,1H3.
What are the key properties of 1-(2-aminoethyl)-N-[(4-ethylphenyl)methyl]pyrazole-4-sulfonamide?
1-(2-aminoethyl)-N-[(4-ethylphenyl)methyl]pyrazole-4-sulfonamide has a molecular weight of 308.41 g/mol, XLogP of 0.88, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-N-[(4-ethylphenyl)methyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 106088936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).