2-[4-[4-(3-methoxycyclopentyl)sulfonyl-3-(trifluoromethyl)phenyl]pyrazol-1-yl]-N-methylacetamide

C19H22F3N3O4S — CID 91418699

IUPAC2-[4-[4-(3-methoxycyclopentyl)sulfonyl-3-(trifluoromethyl)phenyl]pyrazol-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1cc(-c2ccc(S(=O)(=O)C3CCC(OC)C3)c(C(F)(F)F)c2)cn1
InChIInChI=1S/C19H22F3N3O4S/c1-23-18(26)11-25-10-13(9-24-25)12-3-6-17(16(7-12)19(20,21)22)30(27,28)15-5-4-14(8-15)29-2/h3,6-7,9-10,14-15H,4-5,8,11H2,1-2H3,(H,23,26)
InChIKeyAADWISLUTUDODJ-UHFFFAOYSA-N
MW445.46 g/mol
LogP2.66
Rot. Bonds6

About 2-[4-[4-(3-methoxycyclopentyl)sulfonyl-3-(trifluoromethyl)phenyl]pyrazol-1-yl]-N-methylacetamide

2-[4-[4-(3-methoxycyclopentyl)sulfonyl-3-(trifluoromethyl)phenyl]pyrazol-1-yl]-N-methylacetamide (PubChem CID 91418699) has the molecular formula C19H22F3N3O4S and a molecular weight of 445.46 g/mol. Its IUPAC name is 2-[4-[4-(3-methoxycyclopentyl)sulfonyl-3-(trifluoromethyl)phenyl]pyrazol-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[4-(3-methoxycyclopentyl)sulfonyl-3-(trifluoromethyl)phenyl]pyrazol-1-yl]-N-methylacetamide
PubChem CID91418699
Molecular FormulaC19H22F3N3O4S
Molecular Weight445.46 g/mol
Exact Mass445.13
IUPAC Name2-[4-[4-(3-methoxycyclopentyl)sulfonyl-3-(trifluoromethyl)phenyl]pyrazol-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1cc(-c2ccc(S(=O)(=O)C3CCC(OC)C3)c(C(F)(F)F)c2)cn1
InChIInChI=1S/C19H22F3N3O4S/c1-23-18(26)11-25-10-13(9-24-25)12-3-6-17(16(7-12)19(20,21)22)30(27,28)15-5-4-14(8-15)29-2/h3,6-7,9-10,14-15H,4-5,8,11H2,1-2H3,(H,23,26)
InChIKeyAADWISLUTUDODJ-UHFFFAOYSA-N
XLogP2.66
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.46
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-[4-(3-methoxycyclopentyl)sulfonyl-3-(trifluoromethyl)phenyl]pyrazol-1-yl]-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-[(1S,3S)-3-ethoxycyclopentyl]sulfonyl-3-(trifluoromethyl)phenyl]-1-methylpyrazole
CID 90105854
3-[4-[(1R,3R)-3-methoxycyclopentyl]sulfonyl-3-(trifluoromethyl)phenyl]-5-methylsulfonylpyridine
CID 90106572
methyl 2-[4-[4-[(1R,3R,4R)-3-[(1-cyanocyclopropyl)carbamoyl]-4-methoxycyclopentyl]sulfonyl-3-(trifluoromethyl)phenyl]pyrazol-1-yl]acetate
CID 59619500
(1-cyanocyclopropyl)carbamic acid;5-[4-[(1S,3S)-3-methoxycyclopentyl]sulfonyl-3-(trifluoromethyl)phenyl]-2-methylpyridine
CID 90107123
1-[(1S,3S)-3-methoxycyclopentyl]sulfonyl-2-(trifluoromethyl)benzene
CID 90106963
(1R,2R,4R)-N-(1-cyanocyclopropyl)-4-[4-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-(trifluoromethyl)phenyl]sulfonyl-2-methoxycyclopentane-1-carboxamide;(1S,2S,4S)-N-(1-cyanocyclopropyl)-4-[4-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-(trifluoromethyl)phenyl]sulfonyl-2-methoxycyclopentane-1-carboxamide
CID 158618493
(1-cyanocyclopropyl)carbamic acid;1-methyl-4-[4-[(1S,3S)-3-propan-2-yloxycyclopentyl]sulfonyl-3-(trifluoromethyl)phenyl]pyrazole
CID 90107321
(1S,2R,4R)-2-ethoxy-4-[4-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)phenyl]sulfonylcyclopentane-1-carboxylic acid
CID 142766534
(1-cyanocyclopropyl)carbamic acid;4-[4-[(1R,3R)-3-methoxycyclopentyl]sulfonyl-3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 90106683
4-[4-[(1S,3S)-3-methoxycyclopentyl]sulfonyl-3-(trifluoromethyl)phenyl]morpholine
CID 90105403
(1-cyanocyclopropyl)carbamic acid;4-[4-[(1R,3R)-3-methoxycyclopentyl]sulfonyl-3-(trifluoromethyl)phenyl]-3,5-dimethyl-1,2-oxazole
CID 90106475
4,4-difluoro-1-[4-[(1R,3S)-3-methoxycyclopentyl]sulfonyl-3-(trifluoromethyl)phenyl]piperidine
CID 70791041

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(3-methoxycyclopentyl)sulfonyl-3-(trifluoromethyl)phenyl]pyrazol-1-yl]-N-methylacetamide?
The IUPAC name of 2-[4-[4-(3-methoxycyclopentyl)sulfonyl-3-(trifluoromethyl)phenyl]pyrazol-1-yl]-N-methylacetamide (CID 91418699) is 2-[4-[4-(3-methoxycyclopentyl)sulfonyl-3-(trifluoromethyl)phenyl]pyrazol-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-[4-(3-methoxycyclopentyl)sulfonyl-3-(trifluoromethyl)phenyl]pyrazol-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-[4-(3-methoxycyclopentyl)sulfonyl-3-(trifluoromethyl)phenyl]pyrazol-1-yl]-N-methylacetamide is CNC(=O)Cn1cc(-c2ccc(S(=O)(=O)C3CCC(OC)C3)c(C(F)(F)F)c2)cn1.
What is the InChIKey of 2-[4-[4-(3-methoxycyclopentyl)sulfonyl-3-(trifluoromethyl)phenyl]pyrazol-1-yl]-N-methylacetamide?
The InChIKey is AADWISLUTUDODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N3O4S/c1-23-18(26)11-25-10-13(9-24-25)12-3-6-17(16(7-12)19(20,21)22)30(27,28)15-5-4-14(8-15)29-2/h3,6-7,9-10,14-15H,4-5,8,11H2,1-2H3,(H,23,26).
What are the key properties of 2-[4-[4-(3-methoxycyclopentyl)sulfonyl-3-(trifluoromethyl)phenyl]pyrazol-1-yl]-N-methylacetamide?
2-[4-[4-(3-methoxycyclopentyl)sulfonyl-3-(trifluoromethyl)phenyl]pyrazol-1-yl]-N-methylacetamide has a molecular weight of 445.46 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(3-methoxycyclopentyl)sulfonyl-3-(trifluoromethyl)phenyl]pyrazol-1-yl]-N-methylacetamide is sourced from PubChem (CID 91418699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).