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

C19H19F6N3O3S — CID 88932939

IUPAC5-(trifluoromethyl)-N-[[4-[3-(trifluoromethyl)phenyl]sulfonylcyclohexyl]methyl]-1H-pyrazole-3-carboxamide
SMILESO=C(NCC1CCC(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1)c1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C19H19F6N3O3S/c20-18(21,22)12-2-1-3-14(8-12)32(30,31)13-6-4-11(5-7-13)10-26-17(29)15-9-16(28-27-15)19(23,24)25/h1-3,8-9,11,13H,4-7,10H2,(H,26,29)(H,27,28)
InChIKeyFLADDSPSWDJJJO-UHFFFAOYSA-N
MW483.43 g/mol
LogP4.21
Rot. Bonds5

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

5-(trifluoromethyl)-N-[[4-[3-(trifluoromethyl)phenyl]sulfonylcyclohexyl]methyl]-1H-pyrazole-3-carboxamide (PubChem CID 88932939) has the molecular formula C19H19F6N3O3S and a molecular weight of 483.43 g/mol. Its IUPAC name is 5-(trifluoromethyl)-N-[[4-[3-(trifluoromethyl)phenyl]sulfonylcyclohexyl]methyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(trifluoromethyl)-N-[[4-[3-(trifluoromethyl)phenyl]sulfonylcyclohexyl]methyl]-1H-pyrazole-3-carboxamide
PubChem CID88932939
Molecular FormulaC19H19F6N3O3S
Molecular Weight483.43 g/mol
Exact Mass483.11
IUPAC Name5-(trifluoromethyl)-N-[[4-[3-(trifluoromethyl)phenyl]sulfonylcyclohexyl]methyl]-1H-pyrazole-3-carboxamide
SMILESO=C(NCC1CCC(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1)c1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C19H19F6N3O3S/c20-18(21,22)12-2-1-3-14(8-12)32(30,31)13-6-4-11(5-7-13)10-26-17(29)15-9-16(28-27-15)19(23,24)25/h1-3,8-9,11,13H,4-7,10H2,(H,26,29)(H,27,28)
InChIKeyFLADDSPSWDJJJO-UHFFFAOYSA-N
XLogP4.21
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.43
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(trifluoromethyl)-N-[[3-[3-(trifluoromethyl)phenyl]sulfonylcyclobutyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 88933082
ethyl 4-[3-(trifluoromethyl)phenyl]sulfonylcyclohexane-1-carboxylate
CID 123587350
4-[3-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]cyclobutyl]-1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]butan-1-one
CID 123951342
2-[[4-[3-(trifluoromethyl)phenyl]sulfonylcyclohexyl]methyl]pyrazole-3-carboxamide
CID 140596113
N-[[3-[3-fluoro-5-(trifluoromethyl)phenyl]sulfonylcyclobutyl]methyl]-4-(trifluoromethyl)pyridine-2-carboxamide
CID 88933020
[3-[3-(trifluoromethyl)phenyl]sulfonylcyclobutyl]methanamine
CID 67054689
N-ethyl-3-[3-(trifluoromethyl)phenyl]sulfonylcyclopentan-1-amine
CID 64722840
N-[2-oxo-2-(piperidin-4-ylmethylamino)ethyl]-3-(trifluoromethyl)benzamide
CID 18426164
N-(cyclopropylmethyl)-2-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134796721
N-[3-[(4-aminophenyl)-(cyclopropylmethylamino)methyl]phenyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 175895161
N-[2-[(3R)-3-aminopyrrolidin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119413147
5-[1-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-N-(oxan-4-ylmethyl)-1,2-oxazole-3-carboxamide
CID 118554973

Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)-N-[[4-[3-(trifluoromethyl)phenyl]sulfonylcyclohexyl]methyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-(trifluoromethyl)-N-[[4-[3-(trifluoromethyl)phenyl]sulfonylcyclohexyl]methyl]-1H-pyrazole-3-carboxamide (CID 88932939) is 5-(trifluoromethyl)-N-[[4-[3-(trifluoromethyl)phenyl]sulfonylcyclohexyl]methyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-(trifluoromethyl)-N-[[4-[3-(trifluoromethyl)phenyl]sulfonylcyclohexyl]methyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-(trifluoromethyl)-N-[[4-[3-(trifluoromethyl)phenyl]sulfonylcyclohexyl]methyl]-1H-pyrazole-3-carboxamide is O=C(NCC1CCC(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1)c1cc(C(F)(F)F)[nH]n1.
What is the InChIKey of 5-(trifluoromethyl)-N-[[4-[3-(trifluoromethyl)phenyl]sulfonylcyclohexyl]methyl]-1H-pyrazole-3-carboxamide?
The InChIKey is FLADDSPSWDJJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F6N3O3S/c20-18(21,22)12-2-1-3-14(8-12)32(30,31)13-6-4-11(5-7-13)10-26-17(29)15-9-16(28-27-15)19(23,24)25/h1-3,8-9,11,13H,4-7,10H2,(H,26,29)(H,27,28).
What are the key properties of 5-(trifluoromethyl)-N-[[4-[3-(trifluoromethyl)phenyl]sulfonylcyclohexyl]methyl]-1H-pyrazole-3-carboxamide?
5-(trifluoromethyl)-N-[[4-[3-(trifluoromethyl)phenyl]sulfonylcyclohexyl]methyl]-1H-pyrazole-3-carboxamide has a molecular weight of 483.43 g/mol, XLogP of 4.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)-N-[[4-[3-(trifluoromethyl)phenyl]sulfonylcyclohexyl]methyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 88932939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).