4-[[1-(2-fluorophenyl)-3-methylcyclobutyl]sulfamoyl]-1-methylpyrazole-5-carboxylic acid

C16H18FN3O4S — CID 166396431

IUPAC4-[[1-(2-fluorophenyl)-3-methylcyclobutyl]sulfamoyl]-1-methylpyrazole-5-carboxylic acid
SMILESCC1CC(NS(=O)(=O)c2cnn(C)c2C(=O)O)(c2ccccc2F)C1
InChIInChI=1S/C16H18FN3O4S/c1-10-7-16(8-10,11-5-3-4-6-12(11)17)19-25(23,24)13-9-18-20(2)14(13)15(21)22/h3-6,9-10,19H,7-8H2,1-2H3,(H,21,22)
InChIKeyDHCYGCRCVDFJLB-UHFFFAOYSA-N
MW367.40 g/mol
LogP1.86
Rot. Bonds5

About 4-[[1-(2-fluorophenyl)-3-methylcyclobutyl]sulfamoyl]-1-methylpyrazole-5-carboxylic acid

4-[[1-(2-fluorophenyl)-3-methylcyclobutyl]sulfamoyl]-1-methylpyrazole-5-carboxylic acid (PubChem CID 166396431) has the molecular formula C16H18FN3O4S and a molecular weight of 367.40 g/mol. Its IUPAC name is 4-[[1-(2-fluorophenyl)-3-methylcyclobutyl]sulfamoyl]-1-methylpyrazole-5-carboxylic acid.

Molecular Properties

Compound Name4-[[1-(2-fluorophenyl)-3-methylcyclobutyl]sulfamoyl]-1-methylpyrazole-5-carboxylic acid
PubChem CID166396431
Molecular FormulaC16H18FN3O4S
Molecular Weight367.40 g/mol
Exact Mass367.10
IUPAC Name4-[[1-(2-fluorophenyl)-3-methylcyclobutyl]sulfamoyl]-1-methylpyrazole-5-carboxylic acid
SMILESCC1CC(NS(=O)(=O)c2cnn(C)c2C(=O)O)(c2ccccc2F)C1
InChIInChI=1S/C16H18FN3O4S/c1-10-7-16(8-10,11-5-3-4-6-12(11)17)19-25(23,24)13-9-18-20(2)14(13)15(21)22/h3-6,9-10,19H,7-8H2,1-2H3,(H,21,22)
InChIKeyDHCYGCRCVDFJLB-UHFFFAOYSA-N
XLogP1.86
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-(2-fluorophenyl)-3-methylcyclobutyl]sulfamoyl]-1-methylpyrazole-5-carboxylic acid?
The IUPAC name of 4-[[1-(2-fluorophenyl)-3-methylcyclobutyl]sulfamoyl]-1-methylpyrazole-5-carboxylic acid (CID 166396431) is 4-[[1-(2-fluorophenyl)-3-methylcyclobutyl]sulfamoyl]-1-methylpyrazole-5-carboxylic acid.
What is the SMILES notation for 4-[[1-(2-fluorophenyl)-3-methylcyclobutyl]sulfamoyl]-1-methylpyrazole-5-carboxylic acid?
The canonical SMILES for 4-[[1-(2-fluorophenyl)-3-methylcyclobutyl]sulfamoyl]-1-methylpyrazole-5-carboxylic acid is CC1CC(NS(=O)(=O)c2cnn(C)c2C(=O)O)(c2ccccc2F)C1.
What is the InChIKey of 4-[[1-(2-fluorophenyl)-3-methylcyclobutyl]sulfamoyl]-1-methylpyrazole-5-carboxylic acid?
The InChIKey is DHCYGCRCVDFJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O4S/c1-10-7-16(8-10,11-5-3-4-6-12(11)17)19-25(23,24)13-9-18-20(2)14(13)15(21)22/h3-6,9-10,19H,7-8H2,1-2H3,(H,21,22).
What are the key properties of 4-[[1-(2-fluorophenyl)-3-methylcyclobutyl]sulfamoyl]-1-methylpyrazole-5-carboxylic acid?
4-[[1-(2-fluorophenyl)-3-methylcyclobutyl]sulfamoyl]-1-methylpyrazole-5-carboxylic acid has a molecular weight of 367.40 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(2-fluorophenyl)-3-methylcyclobutyl]sulfamoyl]-1-methylpyrazole-5-carboxylic acid is sourced from PubChem (CID 166396431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).