N-(2,2,2-trifluoroethyl)-N-[4-[3-(trifluoromethyl)phenyl]sulfonylcyclohexyl]-1H-pyrazole-5-carboxamide

C19H19F6N3O3S — CID 88932852

IUPACN-(2,2,2-trifluoroethyl)-N-[4-[3-(trifluoromethyl)phenyl]sulfonylcyclohexyl]-1H-pyrazole-5-carboxamide
SMILESO=C(c1ccn[nH]1)N(CC(F)(F)F)C1CCC(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C19H19F6N3O3S/c20-18(21,22)11-28(17(29)16-8-9-26-27-16)13-4-6-14(7-5-13)32(30,31)15-3-1-2-12(10-15)19(23,24)25/h1-3,8-10,13-14H,4-7,11H2,(H,26,27)
InChIKeyHURGLKMYDIBVCJ-UHFFFAOYSA-N
MW483.43 g/mol
LogP4.22
Rot. Bonds5

About N-(2,2,2-trifluoroethyl)-N-[4-[3-(trifluoromethyl)phenyl]sulfonylcyclohexyl]-1H-pyrazole-5-carboxamide

N-(2,2,2-trifluoroethyl)-N-[4-[3-(trifluoromethyl)phenyl]sulfonylcyclohexyl]-1H-pyrazole-5-carboxamide (PubChem CID 88932852) has the molecular formula C19H19F6N3O3S and a molecular weight of 483.43 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethyl)-N-[4-[3-(trifluoromethyl)phenyl]sulfonylcyclohexyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethyl)-N-[4-[3-(trifluoromethyl)phenyl]sulfonylcyclohexyl]-1H-pyrazole-5-carboxamide
PubChem CID88932852
Molecular FormulaC19H19F6N3O3S
Molecular Weight483.43 g/mol
Exact Mass483.11
IUPAC NameN-(2,2,2-trifluoroethyl)-N-[4-[3-(trifluoromethyl)phenyl]sulfonylcyclohexyl]-1H-pyrazole-5-carboxamide
SMILESO=C(c1ccn[nH]1)N(CC(F)(F)F)C1CCC(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C19H19F6N3O3S/c20-18(21,22)11-28(17(29)16-8-9-26-27-16)13-4-6-14(7-5-13)32(30,31)15-3-1-2-12(10-15)19(23,24)25/h1-3,8-10,13-14H,4-7,11H2,(H,26,27)
InChIKeyHURGLKMYDIBVCJ-UHFFFAOYSA-N
XLogP4.22
TPSA83.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.43
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethyl)-N-[4-[3-(trifluoromethyl)phenyl]sulfonylcyclohexyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(2,2,2-trifluoroethyl)-N-[4-[3-(trifluoromethyl)phenyl]sulfonylcyclohexyl]-1H-pyrazole-5-carboxamide (CID 88932852) is N-(2,2,2-trifluoroethyl)-N-[4-[3-(trifluoromethyl)phenyl]sulfonylcyclohexyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(2,2,2-trifluoroethyl)-N-[4-[3-(trifluoromethyl)phenyl]sulfonylcyclohexyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(2,2,2-trifluoroethyl)-N-[4-[3-(trifluoromethyl)phenyl]sulfonylcyclohexyl]-1H-pyrazole-5-carboxamide is O=C(c1ccn[nH]1)N(CC(F)(F)F)C1CCC(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of N-(2,2,2-trifluoroethyl)-N-[4-[3-(trifluoromethyl)phenyl]sulfonylcyclohexyl]-1H-pyrazole-5-carboxamide?
The InChIKey is HURGLKMYDIBVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F6N3O3S/c20-18(21,22)11-28(17(29)16-8-9-26-27-16)13-4-6-14(7-5-13)32(30,31)15-3-1-2-12(10-15)19(23,24)25/h1-3,8-10,13-14H,4-7,11H2,(H,26,27).
What are the key properties of N-(2,2,2-trifluoroethyl)-N-[4-[3-(trifluoromethyl)phenyl]sulfonylcyclohexyl]-1H-pyrazole-5-carboxamide?
N-(2,2,2-trifluoroethyl)-N-[4-[3-(trifluoromethyl)phenyl]sulfonylcyclohexyl]-1H-pyrazole-5-carboxamide has a molecular weight of 483.43 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethyl)-N-[4-[3-(trifluoromethyl)phenyl]sulfonylcyclohexyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 88932852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).