4-chloro-1-ethyl-5-[2-methoxy-4-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]phenyl]-N-[(4-methylsulfonylcyclohexyl)methyl]pyrazole-3-carboxamide

C25H30ClF6N3O4S — CID 146287241

IUPAC4-chloro-1-ethyl-5-[2-methoxy-4-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]phenyl]-N-[(4-methylsulfonylcyclohexyl)methyl]pyrazole-3-carboxamide
SMILESCCn1nc(C(=O)NCC2CCC(S(C)(=O)=O)CC2)c(Cl)c1-c1ccc(CC(C(F)(F)F)C(F)(F)F)cc1OC
InChIInChI=1S/C25H30ClF6N3O4S/c1-4-35-22(17-10-7-15(11-18(17)39-2)12-19(24(27,28)29)25(30,31)32)20(26)21(34-35)23(36)33-13-14-5-8-16(9-6-14)40(3,37)38/h7,10-11,14,16,19H,4-6,8-9,12-13H2,1-3H3,(H,33,36)
InChIKeyRHKQVRHBZITPHF-UHFFFAOYSA-N
MW618.04 g/mol
LogP5.85
Rot. Bonds9

About 4-chloro-1-ethyl-5-[2-methoxy-4-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]phenyl]-N-[(4-methylsulfonylcyclohexyl)methyl]pyrazole-3-carboxamide

4-chloro-1-ethyl-5-[2-methoxy-4-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]phenyl]-N-[(4-methylsulfonylcyclohexyl)methyl]pyrazole-3-carboxamide (PubChem CID 146287241) has the molecular formula C25H30ClF6N3O4S and a molecular weight of 618.04 g/mol. Its IUPAC name is 4-chloro-1-ethyl-5-[2-methoxy-4-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]phenyl]-N-[(4-methylsulfonylcyclohexyl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-1-ethyl-5-[2-methoxy-4-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]phenyl]-N-[(4-methylsulfonylcyclohexyl)methyl]pyrazole-3-carboxamide
PubChem CID146287241
Molecular FormulaC25H30ClF6N3O4S
Molecular Weight618.04 g/mol
Exact Mass617.15
IUPAC Name4-chloro-1-ethyl-5-[2-methoxy-4-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]phenyl]-N-[(4-methylsulfonylcyclohexyl)methyl]pyrazole-3-carboxamide
SMILESCCn1nc(C(=O)NCC2CCC(S(C)(=O)=O)CC2)c(Cl)c1-c1ccc(CC(C(F)(F)F)C(F)(F)F)cc1OC
InChIInChI=1S/C25H30ClF6N3O4S/c1-4-35-22(17-10-7-15(11-18(17)39-2)12-19(24(27,28)29)25(30,31)32)20(26)21(34-35)23(36)33-13-14-5-8-16(9-6-14)40(3,37)38/h7,10-11,14,16,19H,4-6,8-9,12-13H2,1-3H3,(H,33,36)
InChIKeyRHKQVRHBZITPHF-UHFFFAOYSA-N
XLogP5.85
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.04
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-chloro-1-ethyl-5-[2-methoxy-4-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]phenyl]-N-[(4-methylsulfonylcyclohexyl)methyl]pyrazole-3-carboxamide 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 4-chloro-1-ethyl-5-[2-methoxy-4-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]phenyl]-N-[(4-methylsulfonylcyclohexyl)methyl]pyrazole-3-carboxamide?
The IUPAC name of 4-chloro-1-ethyl-5-[2-methoxy-4-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]phenyl]-N-[(4-methylsulfonylcyclohexyl)methyl]pyrazole-3-carboxamide (CID 146287241) is 4-chloro-1-ethyl-5-[2-methoxy-4-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]phenyl]-N-[(4-methylsulfonylcyclohexyl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-1-ethyl-5-[2-methoxy-4-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]phenyl]-N-[(4-methylsulfonylcyclohexyl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-1-ethyl-5-[2-methoxy-4-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]phenyl]-N-[(4-methylsulfonylcyclohexyl)methyl]pyrazole-3-carboxamide is CCn1nc(C(=O)NCC2CCC(S(C)(=O)=O)CC2)c(Cl)c1-c1ccc(CC(C(F)(F)F)C(F)(F)F)cc1OC.
What is the InChIKey of 4-chloro-1-ethyl-5-[2-methoxy-4-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]phenyl]-N-[(4-methylsulfonylcyclohexyl)methyl]pyrazole-3-carboxamide?
The InChIKey is RHKQVRHBZITPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClF6N3O4S/c1-4-35-22(17-10-7-15(11-18(17)39-2)12-19(24(27,28)29)25(30,31)32)20(26)21(34-35)23(36)33-13-14-5-8-16(9-6-14)40(3,37)38/h7,10-11,14,16,19H,4-6,8-9,12-13H2,1-3H3,(H,33,36).
What are the key properties of 4-chloro-1-ethyl-5-[2-methoxy-4-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]phenyl]-N-[(4-methylsulfonylcyclohexyl)methyl]pyrazole-3-carboxamide?
4-chloro-1-ethyl-5-[2-methoxy-4-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]phenyl]-N-[(4-methylsulfonylcyclohexyl)methyl]pyrazole-3-carboxamide has a molecular weight of 618.04 g/mol, XLogP of 5.85, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-ethyl-5-[2-methoxy-4-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]phenyl]-N-[(4-methylsulfonylcyclohexyl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 146287241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).