5-(4-methoxycyclohexyl)-1-methyl-4-[(4-methylphenyl)sulfamoyl]pyrazole-3-carboxylic acid

C19H25N3O5S — CID 170553551

IUPAC5-(4-methoxycyclohexyl)-1-methyl-4-[(4-methylphenyl)sulfamoyl]pyrazole-3-carboxylic acid
SMILESCOC1CCC(c2c(S(=O)(=O)Nc3ccc(C)cc3)c(C(=O)O)nn2C)CC1
InChIInChI=1S/C19H25N3O5S/c1-12-4-8-14(9-5-12)21-28(25,26)18-16(19(23)24)20-22(2)17(18)13-6-10-15(27-3)11-7-13/h4-5,8-9,13,15,21H,6-7,10-11H2,1-3H3,(H,23,24)
InChIKeyXIGJKCIGUJHBLS-UHFFFAOYSA-N
MW407.49 g/mol
LogP2.90
Rot. Bonds6

About 5-(4-methoxycyclohexyl)-1-methyl-4-[(4-methylphenyl)sulfamoyl]pyrazole-3-carboxylic acid

5-(4-methoxycyclohexyl)-1-methyl-4-[(4-methylphenyl)sulfamoyl]pyrazole-3-carboxylic acid (PubChem CID 170553551) has the molecular formula C19H25N3O5S and a molecular weight of 407.49 g/mol. Its IUPAC name is 5-(4-methoxycyclohexyl)-1-methyl-4-[(4-methylphenyl)sulfamoyl]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(4-methoxycyclohexyl)-1-methyl-4-[(4-methylphenyl)sulfamoyl]pyrazole-3-carboxylic acid
PubChem CID170553551
Molecular FormulaC19H25N3O5S
Molecular Weight407.49 g/mol
Exact Mass407.15
IUPAC Name5-(4-methoxycyclohexyl)-1-methyl-4-[(4-methylphenyl)sulfamoyl]pyrazole-3-carboxylic acid
SMILESCOC1CCC(c2c(S(=O)(=O)Nc3ccc(C)cc3)c(C(=O)O)nn2C)CC1
InChIInChI=1S/C19H25N3O5S/c1-12-4-8-14(9-5-12)21-28(25,26)18-16(19(23)24)20-22(2)17(18)13-6-10-15(27-3)11-7-13/h4-5,8-9,13,15,21H,6-7,10-11H2,1-3H3,(H,23,24)
InChIKeyXIGJKCIGUJHBLS-UHFFFAOYSA-N
XLogP2.90
TPSA110.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.49
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxycyclohexyl)-1-methyl-4-[(4-methylphenyl)sulfamoyl]pyrazole-3-carboxylic acid?
The IUPAC name of 5-(4-methoxycyclohexyl)-1-methyl-4-[(4-methylphenyl)sulfamoyl]pyrazole-3-carboxylic acid (CID 170553551) is 5-(4-methoxycyclohexyl)-1-methyl-4-[(4-methylphenyl)sulfamoyl]pyrazole-3-carboxylic acid.
What is the SMILES notation for 5-(4-methoxycyclohexyl)-1-methyl-4-[(4-methylphenyl)sulfamoyl]pyrazole-3-carboxylic acid?
The canonical SMILES for 5-(4-methoxycyclohexyl)-1-methyl-4-[(4-methylphenyl)sulfamoyl]pyrazole-3-carboxylic acid is COC1CCC(c2c(S(=O)(=O)Nc3ccc(C)cc3)c(C(=O)O)nn2C)CC1.
What is the InChIKey of 5-(4-methoxycyclohexyl)-1-methyl-4-[(4-methylphenyl)sulfamoyl]pyrazole-3-carboxylic acid?
The InChIKey is XIGJKCIGUJHBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O5S/c1-12-4-8-14(9-5-12)21-28(25,26)18-16(19(23)24)20-22(2)17(18)13-6-10-15(27-3)11-7-13/h4-5,8-9,13,15,21H,6-7,10-11H2,1-3H3,(H,23,24).
What are the key properties of 5-(4-methoxycyclohexyl)-1-methyl-4-[(4-methylphenyl)sulfamoyl]pyrazole-3-carboxylic acid?
5-(4-methoxycyclohexyl)-1-methyl-4-[(4-methylphenyl)sulfamoyl]pyrazole-3-carboxylic acid has a molecular weight of 407.49 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxycyclohexyl)-1-methyl-4-[(4-methylphenyl)sulfamoyl]pyrazole-3-carboxylic acid is sourced from PubChem (CID 170553551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).