N-methylsulfonyl-2-[4-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]cyclohexyl]acetamide

C19H22F3N3O3S — CID 25126120

IUPACN-methylsulfonyl-2-[4-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]cyclohexyl]acetamide
SMILESCS(=O)(=O)NC(=O)CC1CCC(c2ccc(-c3cc(C(F)(F)F)[nH]n3)cc2)CC1
InChIInChI=1S/C19H22F3N3O3S/c1-29(27,28)25-18(26)10-12-2-4-13(5-3-12)14-6-8-15(9-7-14)16-11-17(24-23-16)19(20,21)22/h6-9,11-13H,2-5,10H2,1H3,(H,23,24)(H,25,26)
InChIKeyPXKSNXXVKNKKLD-UHFFFAOYSA-N
MW429.46 g/mol
LogP3.84
Rot. Bonds5

About N-methylsulfonyl-2-[4-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]cyclohexyl]acetamide

N-methylsulfonyl-2-[4-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]cyclohexyl]acetamide (PubChem CID 25126120) has the molecular formula C19H22F3N3O3S and a molecular weight of 429.46 g/mol. Its IUPAC name is N-methylsulfonyl-2-[4-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]cyclohexyl]acetamide.

Molecular Properties

Compound NameN-methylsulfonyl-2-[4-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]cyclohexyl]acetamide
PubChem CID25126120
Molecular FormulaC19H22F3N3O3S
Molecular Weight429.46 g/mol
Exact Mass429.13
IUPAC NameN-methylsulfonyl-2-[4-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]cyclohexyl]acetamide
SMILESCS(=O)(=O)NC(=O)CC1CCC(c2ccc(-c3cc(C(F)(F)F)[nH]n3)cc2)CC1
InChIInChI=1S/C19H22F3N3O3S/c1-29(27,28)25-18(26)10-12-2-4-13(5-3-12)14-6-8-15(9-7-14)16-11-17(24-23-16)19(20,21)22/h6-9,11-13H,2-5,10H2,1H3,(H,23,24)(H,25,26)
InChIKeyPXKSNXXVKNKKLD-UHFFFAOYSA-N
XLogP3.84
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.46
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4-(4-(5-trifluoromethyl-1H-pyrazol-3-yl)phenyl)cyclohexyl)acetic acid
CID 25125452
4-[[3-(4-fluorophenyl)phenyl]methyl]-5-methyl-N-methylsulfonyl-1H-pyrazole-3-carboxamide
CID 71453561
3-[4-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]cyclohexyl]propanoic acid
CID 25123136
Trans N-hydroxy-2-(4-{4-[3-(trifluoromethyl)-1H-pyrazol-5-yl]phenyl}cyclohexyl)acetamide
CID 25125790
trans Ethyl (4-{4-[5-(trifluoromethyl)-1h-pyrazol-3-yl]phenyl}cyclohexyl)acetate
CID 25126784
N,N-dimethyl-2-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]acetamide
CID 58329673
2-phenyl-2-(4-sulfamoylphenyl)-2-[3-(trifluoromethyl)-1H-pyrazol-5-yl]acetamide
CID 67663252
N-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]sulfonylacetamide
CID 67721487
2-[3,5-di(propan-2-yl)-1H-pyrazol-4-yl]-3-(2,3,4-trifluorophenyl)propanamide
CID 69091652
N-methylsulfonyl-2-[4-[2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]cyclohexyl]acetamide
CID 89464984
N-methyl-3-[4-[4-(sulfamoylamino)phenyl]-3-[4-[4-(trifluoromethyl)phenyl]phenyl]-1H-pyrazol-5-yl]propanamide
CID 118366037
4-[3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]cyclohex-3-en-1-one
CID 123687516

Frequently Asked Questions

What is the IUPAC name of N-methylsulfonyl-2-[4-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]cyclohexyl]acetamide?
The IUPAC name of N-methylsulfonyl-2-[4-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]cyclohexyl]acetamide (CID 25126120) is N-methylsulfonyl-2-[4-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]cyclohexyl]acetamide.
What is the SMILES notation for N-methylsulfonyl-2-[4-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]cyclohexyl]acetamide?
The canonical SMILES for N-methylsulfonyl-2-[4-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]cyclohexyl]acetamide is CS(=O)(=O)NC(=O)CC1CCC(c2ccc(-c3cc(C(F)(F)F)[nH]n3)cc2)CC1.
What is the InChIKey of N-methylsulfonyl-2-[4-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]cyclohexyl]acetamide?
The InChIKey is PXKSNXXVKNKKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N3O3S/c1-29(27,28)25-18(26)10-12-2-4-13(5-3-12)14-6-8-15(9-7-14)16-11-17(24-23-16)19(20,21)22/h6-9,11-13H,2-5,10H2,1H3,(H,23,24)(H,25,26).
What are the key properties of N-methylsulfonyl-2-[4-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]cyclohexyl]acetamide?
N-methylsulfonyl-2-[4-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]cyclohexyl]acetamide has a molecular weight of 429.46 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylsulfonyl-2-[4-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]cyclohexyl]acetamide is sourced from PubChem (CID 25126120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).