N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]ethanesulfonamide

C14H19N3O2S2 — CID 86266325

IUPACN-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCn1nc(-c2ccsc2)cc1C1CC1
InChIInChI=1S/C14H19N3O2S2/c1-2-21(18,19)15-6-7-17-14(11-3-4-11)9-13(16-17)12-5-8-20-10-12/h5,8-11,15H,2-4,6-7H2,1H3
InChIKeyOZZOZHYQUSSTCM-UHFFFAOYSA-N
MW325.46 g/mol
LogP2.43
Rot. Bonds7

About N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]ethanesulfonamide

N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]ethanesulfonamide (PubChem CID 86266325) has the molecular formula C14H19N3O2S2 and a molecular weight of 325.46 g/mol. Its IUPAC name is N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]ethanesulfonamide
PubChem CID86266325
Molecular FormulaC14H19N3O2S2
Molecular Weight325.46 g/mol
Exact Mass325.09
IUPAC NameN-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCn1nc(-c2ccsc2)cc1C1CC1
InChIInChI=1S/C14H19N3O2S2/c1-2-21(18,19)15-6-7-17-14(11-3-4-11)9-13(16-17)12-5-8-20-10-12/h5,8-11,15H,2-4,6-7H2,1H3
InChIKeyOZZOZHYQUSSTCM-UHFFFAOYSA-N
XLogP2.43
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S,4S)-4-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]cyclopent-2-en-1-yl]thiophene-2-sulfonamide
CID 26743408
2-{N-[4-(Propan-2-YL)phenyl]1,3,5-trimethyl-1H-pyrazole-4-sulfonamido}-N-[(thiophen-2-YL)methyl]acetamide
CID 5307135
N-[[(2R,4S,5R)-5-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)-1-azabicyclo[2.2.2]octan-2-yl]methyl]methanesulfonamide
CID 40779391
N-[[(2R,4S,5R)-5-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-1-azabicyclo[2.2.2]octan-2-yl]methyl]thiophene-2-sulfonamide
CID 40779407
N-{[1-cyclopentyl-5-(thiophen-2-yl)-1H-pyrazol-3-yl]methyl}-1-(4-fluorophenyl)methanesulfonamide
CID 71797472
N-{2-[3-(thiophen-2-yl)-1H-pyrazol-1-yl]ethyl}methanesulfonamide
CID 71808159
N-{2-[3-(thiophen-2-yl)-1H-pyrazol-1-yl]ethyl}cyclopropanesulfonamide
CID 71808160
N-{2-[3-(thiophen-2-yl)-1H-pyrazol-1-yl]ethyl}propane-1-sulfonamide
CID 71808161
N-(2-(3-(thiophen-2-yl)-1H-pyrazol-1-yl)ethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 71808172
N-{2-[5-cyclopropyl-3-(thiophen-2-yl)-1H-pyrazol-1-yl]ethyl}-1-(2-fluorophenyl)methanesulfonamide
CID 72718652
N-(2-(3-(thiophen-3-yl)-1H-pyrazol-1-yl)ethyl)propane-1-sulfonamide
CID 86266413
1-(2,5-difluorophenyl)-N-(2-(3-(thiophen-3-yl)-1H-pyrazol-1-yl)ethyl)methanesulfonamide
CID 91629211

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]ethanesulfonamide?
The IUPAC name of N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]ethanesulfonamide (CID 86266325) is N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]ethanesulfonamide.
What is the SMILES notation for N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]ethanesulfonamide?
The canonical SMILES for N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]ethanesulfonamide is CCS(=O)(=O)NCCn1nc(-c2ccsc2)cc1C1CC1.
What is the InChIKey of N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]ethanesulfonamide?
The InChIKey is OZZOZHYQUSSTCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S2/c1-2-21(18,19)15-6-7-17-14(11-3-4-11)9-13(16-17)12-5-8-20-10-12/h5,8-11,15H,2-4,6-7H2,1H3.
What are the key properties of N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]ethanesulfonamide?
N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]ethanesulfonamide has a molecular weight of 325.46 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]ethanesulfonamide is sourced from PubChem (CID 86266325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).