1-(2-fluorophenyl)-N-[1-(4-sulfamoylphenyl)ethyl]pyrazole-4-carboxamide

C18H17FN4O3S — CID 75526443

IUPAC1-(2-fluorophenyl)-N-[1-(4-sulfamoylphenyl)ethyl]pyrazole-4-carboxamide
SMILESCC(NC(=O)c1cnn(-c2ccccc2F)c1)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C18H17FN4O3S/c1-12(13-6-8-15(9-7-13)27(20,25)26)22-18(24)14-10-21-23(11-14)17-5-3-2-4-16(17)19/h2-12H,1H3,(H,22,24)(H2,20,25,26)
InChIKeyQBKZHTZBAOYFAW-UHFFFAOYSA-N
MW388.42 g/mol
LogP2.15
Rot. Bonds5

About 1-(2-fluorophenyl)-N-[1-(4-sulfamoylphenyl)ethyl]pyrazole-4-carboxamide

1-(2-fluorophenyl)-N-[1-(4-sulfamoylphenyl)ethyl]pyrazole-4-carboxamide (PubChem CID 75526443) has the molecular formula C18H17FN4O3S and a molecular weight of 388.42 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-[1-(4-sulfamoylphenyl)ethyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-[1-(4-sulfamoylphenyl)ethyl]pyrazole-4-carboxamide
PubChem CID75526443
Molecular FormulaC18H17FN4O3S
Molecular Weight388.42 g/mol
Exact Mass388.10
IUPAC Name1-(2-fluorophenyl)-N-[1-(4-sulfamoylphenyl)ethyl]pyrazole-4-carboxamide
SMILESCC(NC(=O)c1cnn(-c2ccccc2F)c1)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C18H17FN4O3S/c1-12(13-6-8-15(9-7-13)27(20,25)26)22-18(24)14-10-21-23(11-14)17-5-3-2-4-16(17)19/h2-12H,1H3,(H,22,24)(H2,20,25,26)
InChIKeyQBKZHTZBAOYFAW-UHFFFAOYSA-N
XLogP2.15
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-fluorophenyl)-N-[1-(4-sulfamoylphenyl)ethyl]pyrazole-3-carboxamide
CID 75466680
N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-1-(2-fluorophenyl)pyrazole-4-carboxamide
CID 94828484
1-(2-fluorophenyl)-N-[4-(methylsulfamoyl)phenyl]pyrazole-4-carboxamide
CID 95348121
1-phenyl-N-[(1S)-1-phenylethyl]pyrazole-4-carboxamide
CID 27660239
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-phenylpyrazole-4-carboxamide
CID 92538494
N-[(1S)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1-(2-fluorophenyl)pyrazole-4-carboxamide
CID 95284464
1-(2-fluorophenyl)-N-(3-hydroxy-4-methylpentyl)pyrazole-4-carboxamide
CID 111460687
1-phenyl-N-[(1S)-1-pyridin-4-ylethyl]pyrazole-4-carboxamide
CID 25343900
1-(2-chlorophenyl)-N-[(1R)-1-pyridin-3-ylethyl]pyrazole-4-carboxamide
CID 94813569
1-(2-chlorophenyl)-N-[1-(4-morpholin-4-ylphenyl)ethyl]pyrazole-4-carboxamide
CID 49163632
1-[1-(2-fluorophenyl)pyrazol-4-yl]propan-1-one
CID 134608302
4-(phenylsulfamoyl)-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]benzamide
CID 2446305

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-[1-(4-sulfamoylphenyl)ethyl]pyrazole-4-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-N-[1-(4-sulfamoylphenyl)ethyl]pyrazole-4-carboxamide (CID 75526443) is 1-(2-fluorophenyl)-N-[1-(4-sulfamoylphenyl)ethyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-[1-(4-sulfamoylphenyl)ethyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-[1-(4-sulfamoylphenyl)ethyl]pyrazole-4-carboxamide is CC(NC(=O)c1cnn(-c2ccccc2F)c1)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 1-(2-fluorophenyl)-N-[1-(4-sulfamoylphenyl)ethyl]pyrazole-4-carboxamide?
The InChIKey is QBKZHTZBAOYFAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O3S/c1-12(13-6-8-15(9-7-13)27(20,25)26)22-18(24)14-10-21-23(11-14)17-5-3-2-4-16(17)19/h2-12H,1H3,(H,22,24)(H2,20,25,26).
What are the key properties of 1-(2-fluorophenyl)-N-[1-(4-sulfamoylphenyl)ethyl]pyrazole-4-carboxamide?
1-(2-fluorophenyl)-N-[1-(4-sulfamoylphenyl)ethyl]pyrazole-4-carboxamide has a molecular weight of 388.42 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-[1-(4-sulfamoylphenyl)ethyl]pyrazole-4-carboxamide is sourced from PubChem (CID 75526443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).