1-ethyl-N-[1-(4-fluorophenyl)-5-methylpyrazol-3-yl]pyrazole-4-sulfonamide

C15H16FN5O2S — CID 84597084

IUPAC1-ethyl-N-[1-(4-fluorophenyl)-5-methylpyrazol-3-yl]pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2cc(C)n(-c3ccc(F)cc3)n2)cn1
InChIInChI=1S/C15H16FN5O2S/c1-3-20-10-14(9-17-20)24(22,23)19-15-8-11(2)21(18-15)13-6-4-12(16)5-7-13/h4-10H,3H2,1-2H3,(H,18,19)
InChIKeyNAGMYYTUGOGONR-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.34
Rot. Bonds5

About 1-ethyl-N-[1-(4-fluorophenyl)-5-methylpyrazol-3-yl]pyrazole-4-sulfonamide

1-ethyl-N-[1-(4-fluorophenyl)-5-methylpyrazol-3-yl]pyrazole-4-sulfonamide (PubChem CID 84597084) has the molecular formula C15H16FN5O2S and a molecular weight of 349.39 g/mol. Its IUPAC name is 1-ethyl-N-[1-(4-fluorophenyl)-5-methylpyrazol-3-yl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N-[1-(4-fluorophenyl)-5-methylpyrazol-3-yl]pyrazole-4-sulfonamide
PubChem CID84597084
Molecular FormulaC15H16FN5O2S
Molecular Weight349.39 g/mol
Exact Mass349.10
IUPAC Name1-ethyl-N-[1-(4-fluorophenyl)-5-methylpyrazol-3-yl]pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2cc(C)n(-c3ccc(F)cc3)n2)cn1
InChIInChI=1S/C15H16FN5O2S/c1-3-20-10-14(9-17-20)24(22,23)19-15-8-11(2)21(18-15)13-6-4-12(16)5-7-13/h4-10H,3H2,1-2H3,(H,18,19)
InChIKeyNAGMYYTUGOGONR-UHFFFAOYSA-N
XLogP2.34
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-ethyl-N-[(4-fluorophenyl)methyl]pyrazole-4-sulfonamide
CID 19582268
1-ethyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]pyrazole-4-sulfonamide
CID 19684607
N-(3-chloro-4-fluorophenyl)-1-ethylpyrazole-4-sulfonamide
CID 6469273
N-(3-bromo-4-methyl-2-pyridinyl)-1-ethylpyrazole-4-sulfonamide
CID 126837841
1-ethyl-N-[4-(ethylsulfamoyl)phenyl]pyrazole-4-sulfonamide
CID 22203400
1-ethyl-N-(4-iodo-3-methyl-2-pyridinyl)pyrazole-4-sulfonamide
CID 126841204
N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-ethylpyrazole-4-sulfonamide
CID 22206959
1-ethyl-N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]pyrazole-4-sulfonamide
CID 22204073
3,4-dichloro-N-(5-methyl-1-phenylpyrazol-3-yl)benzenesulfonamide
CID 3687695
N-[2-(difluoromethoxy)-4-methylphenyl]-1-ethylpyrazole-4-sulfonamide
CID 22206076
N-[2,6-di(propan-2-yl)phenyl]-1-ethylpyrazole-4-sulfonamide
CID 19684001
1-ethyl-N-thiophen-3-ylpyrazole-4-sulfonamide
CID 71998246

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[1-(4-fluorophenyl)-5-methylpyrazol-3-yl]pyrazole-4-sulfonamide?
The IUPAC name of 1-ethyl-N-[1-(4-fluorophenyl)-5-methylpyrazol-3-yl]pyrazole-4-sulfonamide (CID 84597084) is 1-ethyl-N-[1-(4-fluorophenyl)-5-methylpyrazol-3-yl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-N-[1-(4-fluorophenyl)-5-methylpyrazol-3-yl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-N-[1-(4-fluorophenyl)-5-methylpyrazol-3-yl]pyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)Nc2cc(C)n(-c3ccc(F)cc3)n2)cn1.
What is the InChIKey of 1-ethyl-N-[1-(4-fluorophenyl)-5-methylpyrazol-3-yl]pyrazole-4-sulfonamide?
The InChIKey is NAGMYYTUGOGONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN5O2S/c1-3-20-10-14(9-17-20)24(22,23)19-15-8-11(2)21(18-15)13-6-4-12(16)5-7-13/h4-10H,3H2,1-2H3,(H,18,19).
What are the key properties of 1-ethyl-N-[1-(4-fluorophenyl)-5-methylpyrazol-3-yl]pyrazole-4-sulfonamide?
1-ethyl-N-[1-(4-fluorophenyl)-5-methylpyrazol-3-yl]pyrazole-4-sulfonamide has a molecular weight of 349.39 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[1-(4-fluorophenyl)-5-methylpyrazol-3-yl]pyrazole-4-sulfonamide is sourced from PubChem (CID 84597084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).