2-[4-(3-hydroxypropyl)-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,4,6-trimethylphenyl)acetamide

C18H22F3N3O2 — CID 75399903

IUPAC2-[4-(3-hydroxypropyl)-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)Cn2cc(CCCO)c(C(F)(F)F)n2)c(C)c1
InChIInChI=1S/C18H22F3N3O2/c1-11-7-12(2)16(13(3)8-11)22-15(26)10-24-9-14(5-4-6-25)17(23-24)18(19,20)21/h7-9,25H,4-6,10H2,1-3H3,(H,22,26)
InChIKeyNPVMUUSAKPKLGM-UHFFFAOYSA-N
MW369.39 g/mol
LogP3.39
Rot. Bonds6

About 2-[4-(3-hydroxypropyl)-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,4,6-trimethylphenyl)acetamide

2-[4-(3-hydroxypropyl)-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 75399903) has the molecular formula C18H22F3N3O2 and a molecular weight of 369.39 g/mol. Its IUPAC name is 2-[4-(3-hydroxypropyl)-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(3-hydroxypropyl)-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID75399903
Molecular FormulaC18H22F3N3O2
Molecular Weight369.39 g/mol
Exact Mass369.17
IUPAC Name2-[4-(3-hydroxypropyl)-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)Cn2cc(CCCO)c(C(F)(F)F)n2)c(C)c1
InChIInChI=1S/C18H22F3N3O2/c1-11-7-12(2)16(13(3)8-11)22-15(26)10-24-9-14(5-4-6-25)17(23-24)18(19,20)21/h7-9,25H,4-6,10H2,1-3H3,(H,22,26)
InChIKeyNPVMUUSAKPKLGM-UHFFFAOYSA-N
XLogP3.39
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.39
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-difluorophenyl)-2-[4-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 110006390
N-(3-ethylphenyl)-2-[4-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 110006368
2-[4-(aminomethyl)triazol-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 46868049
2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 80735511
N,N'-bis(2,4,6-trimethylphenyl)propanediamide
CID 746178
2-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride
CID 171667377
2-[4-[[2-(trifluoromethyl)-4-pyridinyl]methyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 171337882
2-(4-methyl-1-oxophthalazin-2-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 51208445
2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 53014407
2-[1-pent-3-ynyl-3-(trifluoromethyl)pyrazol-4-yl]ethanol
CID 99700158
3-oxo-N-(2,4,6-trimethylphenyl)butanamide
CID 793589
2-[4-(2-aminoethyl)triazol-1-yl]-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 116642139

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-hydroxypropyl)-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-[4-(3-hydroxypropyl)-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,4,6-trimethylphenyl)acetamide (CID 75399903) is 2-[4-(3-hydroxypropyl)-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-[4-(3-hydroxypropyl)-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-[4-(3-hydroxypropyl)-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,4,6-trimethylphenyl)acetamide is Cc1cc(C)c(NC(=O)Cn2cc(CCCO)c(C(F)(F)F)n2)c(C)c1.
What is the InChIKey of 2-[4-(3-hydroxypropyl)-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is NPVMUUSAKPKLGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3N3O2/c1-11-7-12(2)16(13(3)8-11)22-15(26)10-24-9-14(5-4-6-25)17(23-24)18(19,20)21/h7-9,25H,4-6,10H2,1-3H3,(H,22,26).
What are the key properties of 2-[4-(3-hydroxypropyl)-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,4,6-trimethylphenyl)acetamide?
2-[4-(3-hydroxypropyl)-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 369.39 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-hydroxypropyl)-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 75399903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).