2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-[2-(hydroxymethyl)cyclopentyl]acetamide

C15H22F3N3O2 — CID 75514522

IUPAC2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-[2-(hydroxymethyl)cyclopentyl]acetamide
SMILESCc1nn(CC(F)(F)F)c(C)c1CC(=O)NC1CCCC1CO
InChIInChI=1S/C15H22F3N3O2/c1-9-12(10(2)21(20-9)8-15(16,17)18)6-14(23)19-13-5-3-4-11(13)7-22/h11,13,22H,3-8H2,1-2H3,(H,19,23)
InChIKeyWASPSZCZEIRDTF-UHFFFAOYSA-N
MW333.35 g/mol
LogP1.88
Rot. Bonds5

About 2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-[2-(hydroxymethyl)cyclopentyl]acetamide

2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-[2-(hydroxymethyl)cyclopentyl]acetamide (PubChem CID 75514522) has the molecular formula C15H22F3N3O2 and a molecular weight of 333.35 g/mol. Its IUPAC name is 2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-[2-(hydroxymethyl)cyclopentyl]acetamide.

Molecular Properties

Compound Name2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-[2-(hydroxymethyl)cyclopentyl]acetamide
PubChem CID75514522
Molecular FormulaC15H22F3N3O2
Molecular Weight333.35 g/mol
Exact Mass333.17
IUPAC Name2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-[2-(hydroxymethyl)cyclopentyl]acetamide
SMILESCc1nn(CC(F)(F)F)c(C)c1CC(=O)NC1CCCC1CO
InChIInChI=1S/C15H22F3N3O2/c1-9-12(10(2)21(20-9)8-15(16,17)18)6-14(23)19-13-5-3-4-11(13)7-22/h11,13,22H,3-8H2,1-2H3,(H,19,23)
InChIKeyWASPSZCZEIRDTF-UHFFFAOYSA-N
XLogP1.88
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(trifluoromethyl)cyclohexyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 47018724
N-(1-cyclopropyl-3-hydroxypropyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 71847165
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(hydroxymethyl)-2-methylcyclopentyl]acetamide
CID 121523694
2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-[1-(methoxymethyl)cyclopentyl]acetamide
CID 138036265
N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 31062541
N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 31062543
N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 31062545
N-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 31062546
2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[4-(trifluoromethyl)cyclohexyl]acetamide
CID 36820880
2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(4-methylcyclohexyl)acetamide
CID 48652080
3-[[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-N-propylpropanamide
CID 48679862
N-cyclopentyl-3-[[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]propanamide
CID 48680303

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-[2-(hydroxymethyl)cyclopentyl]acetamide?
The IUPAC name of 2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-[2-(hydroxymethyl)cyclopentyl]acetamide (CID 75514522) is 2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-[2-(hydroxymethyl)cyclopentyl]acetamide.
What is the SMILES notation for 2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-[2-(hydroxymethyl)cyclopentyl]acetamide?
The canonical SMILES for 2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-[2-(hydroxymethyl)cyclopentyl]acetamide is Cc1nn(CC(F)(F)F)c(C)c1CC(=O)NC1CCCC1CO.
What is the InChIKey of 2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-[2-(hydroxymethyl)cyclopentyl]acetamide?
The InChIKey is WASPSZCZEIRDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N3O2/c1-9-12(10(2)21(20-9)8-15(16,17)18)6-14(23)19-13-5-3-4-11(13)7-22/h11,13,22H,3-8H2,1-2H3,(H,19,23).
What are the key properties of 2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-[2-(hydroxymethyl)cyclopentyl]acetamide?
2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-[2-(hydroxymethyl)cyclopentyl]acetamide has a molecular weight of 333.35 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-[2-(hydroxymethyl)cyclopentyl]acetamide is sourced from PubChem (CID 75514522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).