1-[4-(4-fluorophenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3-(4-methylphenyl)sulfonylurea

C19H16F4N4O3S — CID 2810696

IUPAC1-[4-(4-fluorophenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3-(4-methylphenyl)sulfonylurea
SMILESCc1ccc(S(=O)(=O)NC(=O)Nc2c(-c3ccc(F)cc3)c(C(F)(F)F)nn2C)cc1
InChIInChI=1S/C19H16F4N4O3S/c1-11-3-9-14(10-4-11)31(29,30)26-18(28)24-17-15(12-5-7-13(20)8-6-12)16(19(21,22)23)25-27(17)2/h3-10H,1-2H3,(H2,24,26,28)
InChIKeyLXAINEHNLWZQQD-UHFFFAOYSA-N
MW456.42 g/mol
LogP4.06
Rot. Bonds4

About 1-[4-(4-fluorophenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3-(4-methylphenyl)sulfonylurea

1-[4-(4-fluorophenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3-(4-methylphenyl)sulfonylurea (PubChem CID 2810696) has the molecular formula C19H16F4N4O3S and a molecular weight of 456.42 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3-(4-methylphenyl)sulfonylurea.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3-(4-methylphenyl)sulfonylurea
PubChem CID2810696
Molecular FormulaC19H16F4N4O3S
Molecular Weight456.42 g/mol
Exact Mass456.09
IUPAC Name1-[4-(4-fluorophenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3-(4-methylphenyl)sulfonylurea
SMILESCc1ccc(S(=O)(=O)NC(=O)Nc2c(-c3ccc(F)cc3)c(C(F)(F)F)nn2C)cc1
InChIInChI=1S/C19H16F4N4O3S/c1-11-3-9-14(10-4-11)31(29,30)26-18(28)24-17-15(12-5-7-13(20)8-6-12)16(19(21,22)23)25-27(17)2/h3-10H,1-2H3,(H2,24,26,28)
InChIKeyLXAINEHNLWZQQD-UHFFFAOYSA-N
XLogP4.06
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.42
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[4-(4-fluorophenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3-(4-methylphenyl)sulfonylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3-(4-methylphenyl)sulfonylurea?
The IUPAC name of 1-[4-(4-fluorophenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3-(4-methylphenyl)sulfonylurea (CID 2810696) is 1-[4-(4-fluorophenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3-(4-methylphenyl)sulfonylurea.
What is the SMILES notation for 1-[4-(4-fluorophenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3-(4-methylphenyl)sulfonylurea?
The canonical SMILES for 1-[4-(4-fluorophenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3-(4-methylphenyl)sulfonylurea is Cc1ccc(S(=O)(=O)NC(=O)Nc2c(-c3ccc(F)cc3)c(C(F)(F)F)nn2C)cc1.
What is the InChIKey of 1-[4-(4-fluorophenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3-(4-methylphenyl)sulfonylurea?
The InChIKey is LXAINEHNLWZQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F4N4O3S/c1-11-3-9-14(10-4-11)31(29,30)26-18(28)24-17-15(12-5-7-13(20)8-6-12)16(19(21,22)23)25-27(17)2/h3-10H,1-2H3,(H2,24,26,28).
What are the key properties of 1-[4-(4-fluorophenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3-(4-methylphenyl)sulfonylurea?
1-[4-(4-fluorophenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3-(4-methylphenyl)sulfonylurea has a molecular weight of 456.42 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3-(4-methylphenyl)sulfonylurea is sourced from PubChem (CID 2810696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).