1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]sulfonylurea

C18H19F3N4O3S — CID 122480690

IUPAC1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]sulfonylurea
SMILESCn1nc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)cc1C(F)(F)F
InChIInChI=1S/C18H19F3N4O3S/c1-25-14(18(19,20)21)9-15(23-25)29(27,28)24-17(26)22-16-12-6-2-4-10(12)8-11-5-3-7-13(11)16/h8-9H,2-7H2,1H3,(H2,22,24,26)
InChIKeyMYHLEBJTYRNCDI-UHFFFAOYSA-N
MW428.44 g/mol
LogP2.93
Rot. Bonds3

About 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]sulfonylurea

1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]sulfonylurea (PubChem CID 122480690) has the molecular formula C18H19F3N4O3S and a molecular weight of 428.44 g/mol. Its IUPAC name is 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]sulfonylurea.

Molecular Properties

Compound Name1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]sulfonylurea
PubChem CID122480690
Molecular FormulaC18H19F3N4O3S
Molecular Weight428.44 g/mol
Exact Mass428.11
IUPAC Name1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]sulfonylurea
SMILESCn1nc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)cc1C(F)(F)F
InChIInChI=1S/C18H19F3N4O3S/c1-25-14(18(19,20)21)9-15(23-25)29(27,28)24-17(26)22-16-12-6-2-4-10(12)8-11-5-3-7-13(11)16/h8-9H,2-7H2,1H3,(H2,22,24,26)
InChIKeyMYHLEBJTYRNCDI-UHFFFAOYSA-N
XLogP2.93
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.44
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]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-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]sulfonylurea?
The IUPAC name of 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]sulfonylurea (CID 122480690) is 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]sulfonylurea.
What is the SMILES notation for 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]sulfonylurea?
The canonical SMILES for 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]sulfonylurea is Cn1nc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)cc1C(F)(F)F.
What is the InChIKey of 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]sulfonylurea?
The InChIKey is MYHLEBJTYRNCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O3S/c1-25-14(18(19,20)21)9-15(23-25)29(27,28)24-17(26)22-16-12-6-2-4-10(12)8-11-5-3-7-13(11)16/h8-9H,2-7H2,1H3,(H2,22,24,26).
What are the key properties of 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]sulfonylurea?
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]sulfonylurea has a molecular weight of 428.44 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]sulfonylurea is sourced from PubChem (CID 122480690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).