4-ethoxy-1-(4-fluorophenyl)-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide

C18H17FN4O4S — CID 42109750

IUPAC4-ethoxy-1-(4-fluorophenyl)-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide
SMILESCCOc1cn(-c2ccc(F)cc2)nc1C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C18H17FN4O4S/c1-2-27-16-11-23(14-7-3-12(19)4-8-14)22-17(16)18(24)21-13-5-9-15(10-6-13)28(20,25)26/h3-11H,2H2,1H3,(H,21,24)(H2,20,25,26)
InChIKeyNIVMBHGQBGEHQO-UHFFFAOYSA-N
MW404.42 g/mol
LogP2.31
Rot. Bonds6

About 4-ethoxy-1-(4-fluorophenyl)-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide

4-ethoxy-1-(4-fluorophenyl)-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide (PubChem CID 42109750) has the molecular formula C18H17FN4O4S and a molecular weight of 404.42 g/mol. Its IUPAC name is 4-ethoxy-1-(4-fluorophenyl)-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-ethoxy-1-(4-fluorophenyl)-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide
PubChem CID42109750
Molecular FormulaC18H17FN4O4S
Molecular Weight404.42 g/mol
Exact Mass404.10
IUPAC Name4-ethoxy-1-(4-fluorophenyl)-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide
SMILESCCOc1cn(-c2ccc(F)cc2)nc1C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C18H17FN4O4S/c1-2-27-16-11-23(14-7-3-12(19)4-8-14)22-17(16)18(24)21-13-5-9-15(10-6-13)28(20,25)26/h3-11H,2H2,1H3,(H,21,24)(H2,20,25,26)
InChIKeyNIVMBHGQBGEHQO-UHFFFAOYSA-N
XLogP2.31
TPSA116.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.42
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-N,1-diphenylpyrazole-3-carboxamide
CID 7992430
1-(4-fluorophenyl)-4-methoxy-N-[2-(methylsulfanyl)phenyl]-1H-pyrazole-3-carboxamide
CID 25284363
4-ethoxy-1-(4-fluorophenyl)-N-(2-methylcyclohexyl)-1H-pyrazole-3-carboxamide
CID 45283985
4-ethoxy-N-(2-ethylphenyl)-1-(4-fluorophenyl)-1H-pyrazole-3-carboxamide
CID 42109724
ethyl 4-(1-(4-fluorophenyl)-4-propoxy-1H-pyrazole-3-carbonyl)piperazine-1-carboxylate
CID 42109755
azepan-1-yl(4-ethoxy-1-(4-fluorophenyl)-1H-pyrazol-3-yl)methanone
CID 45283982
4-ethoxy-1-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-3-carboxamide
CID 45283988
4-(benzyloxy)-1-(4-fluorophenyl)-N-(4-sulfamoylphenethyl)-1H-pyrazole-3-carboxamide
CID 45529699
4-methoxy-N-(1-morpholin-4-yl-1-oxopropan-2-yl)-1-phenylpyrazole-3-carboxamide
CID 47083455
N-(3,4-difluorophenyl)-1-(4-fluorophenyl)-4-methoxy-1H-pyrazole-3-carboxamide
CID 25284369
1-(4-fluorophenyl)-N-isopentyl-4-propoxy-1H-pyrazole-3-carboxamide
CID 45283990
1-(4-fluorophenyl)-4-methoxy-N-(3-methoxypropyl)-1H-pyrazole-3-carboxamide
CID 25284338

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-1-(4-fluorophenyl)-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide?
The IUPAC name of 4-ethoxy-1-(4-fluorophenyl)-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide (CID 42109750) is 4-ethoxy-1-(4-fluorophenyl)-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-ethoxy-1-(4-fluorophenyl)-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide?
The canonical SMILES for 4-ethoxy-1-(4-fluorophenyl)-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide is CCOc1cn(-c2ccc(F)cc2)nc1C(=O)Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-ethoxy-1-(4-fluorophenyl)-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide?
The InChIKey is NIVMBHGQBGEHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O4S/c1-2-27-16-11-23(14-7-3-12(19)4-8-14)22-17(16)18(24)21-13-5-9-15(10-6-13)28(20,25)26/h3-11H,2H2,1H3,(H,21,24)(H2,20,25,26).
What are the key properties of 4-ethoxy-1-(4-fluorophenyl)-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide?
4-ethoxy-1-(4-fluorophenyl)-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide has a molecular weight of 404.42 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-1-(4-fluorophenyl)-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 42109750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).