2-[4-[2-(2-hydroxyphenyl)-5-methyl-3-(trifluoromethyl)phenyl]pyrazol-1-yl]acetamide

C19H16F3N3O2 — CID 155161896

IUPAC2-[4-[2-(2-hydroxyphenyl)-5-methyl-3-(trifluoromethyl)phenyl]pyrazol-1-yl]acetamide
SMILESCc1cc(-c2cnn(CC(N)=O)c2)c(-c2ccccc2O)c(C(F)(F)F)c1
InChIInChI=1S/C19H16F3N3O2/c1-11-6-14(12-8-24-25(9-12)10-17(23)27)18(15(7-11)19(20,21)22)13-4-2-3-5-16(13)26/h2-9,26H,10H2,1H3,(H2,23,27)
InChIKeyVIXYZXMRDLOLRU-UHFFFAOYSA-N
MW375.35 g/mol
LogP3.74
Rot. Bonds4

About 2-[4-[2-(2-hydroxyphenyl)-5-methyl-3-(trifluoromethyl)phenyl]pyrazol-1-yl]acetamide

2-[4-[2-(2-hydroxyphenyl)-5-methyl-3-(trifluoromethyl)phenyl]pyrazol-1-yl]acetamide (PubChem CID 155161896) has the molecular formula C19H16F3N3O2 and a molecular weight of 375.35 g/mol. Its IUPAC name is 2-[4-[2-(2-hydroxyphenyl)-5-methyl-3-(trifluoromethyl)phenyl]pyrazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[2-(2-hydroxyphenyl)-5-methyl-3-(trifluoromethyl)phenyl]pyrazol-1-yl]acetamide
PubChem CID155161896
Molecular FormulaC19H16F3N3O2
Molecular Weight375.35 g/mol
Exact Mass375.12
IUPAC Name2-[4-[2-(2-hydroxyphenyl)-5-methyl-3-(trifluoromethyl)phenyl]pyrazol-1-yl]acetamide
SMILESCc1cc(-c2cnn(CC(N)=O)c2)c(-c2ccccc2O)c(C(F)(F)F)c1
InChIInChI=1S/C19H16F3N3O2/c1-11-6-14(12-8-24-25(9-12)10-17(23)27)18(15(7-11)19(20,21)22)13-4-2-3-5-16(13)26/h2-9,26H,10H2,1H3,(H2,23,27)
InChIKeyVIXYZXMRDLOLRU-UHFFFAOYSA-N
XLogP3.74
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.35
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-N-methylacetamide
CID 59492521
2-[4-[9-Hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]acetamide
CID 59492473
2-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-N,N-dimethylacetamide
CID 59492627
N-ethyl-2-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]acetamide
CID 59492642
2-[4-[9-Hydroxy-2-methyl-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]acetamide
CID 59492840
2-[4-[2-fluoro-9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-N-methylacetamide
CID 59492863
2-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-N-propan-2-ylacetamide
CID 59492901
N-[2-[4-[9-hydroxy-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]ethyl]acetamide
CID 59492902
2-[4-[9-hydroxy-2-methyl-9-(trifluoromethyl)fluoren-4-yl]pyrazol-1-yl]-N-methylacetamide
CID 59492994
2-[4-[9-Hydroxy-5-(hydroxymethyl)-9-(trifluoromethyl)fluoren-2-yl]pyrazol-1-yl]acetamide
CID 59493097
6-(3-Hydroxyphenyl)-1-(1-methylpyrazol-4-yl)naphthalen-2-ol
CID 50942605
1-[3-(2-hydroxyphenyl)-4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]pyrazol-1-yl]ethanone
CID 135928440

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2-hydroxyphenyl)-5-methyl-3-(trifluoromethyl)phenyl]pyrazol-1-yl]acetamide?
The IUPAC name of 2-[4-[2-(2-hydroxyphenyl)-5-methyl-3-(trifluoromethyl)phenyl]pyrazol-1-yl]acetamide (CID 155161896) is 2-[4-[2-(2-hydroxyphenyl)-5-methyl-3-(trifluoromethyl)phenyl]pyrazol-1-yl]acetamide.
What is the SMILES notation for 2-[4-[2-(2-hydroxyphenyl)-5-methyl-3-(trifluoromethyl)phenyl]pyrazol-1-yl]acetamide?
The canonical SMILES for 2-[4-[2-(2-hydroxyphenyl)-5-methyl-3-(trifluoromethyl)phenyl]pyrazol-1-yl]acetamide is Cc1cc(-c2cnn(CC(N)=O)c2)c(-c2ccccc2O)c(C(F)(F)F)c1.
What is the InChIKey of 2-[4-[2-(2-hydroxyphenyl)-5-methyl-3-(trifluoromethyl)phenyl]pyrazol-1-yl]acetamide?
The InChIKey is VIXYZXMRDLOLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O2/c1-11-6-14(12-8-24-25(9-12)10-17(23)27)18(15(7-11)19(20,21)22)13-4-2-3-5-16(13)26/h2-9,26H,10H2,1H3,(H2,23,27).
What are the key properties of 2-[4-[2-(2-hydroxyphenyl)-5-methyl-3-(trifluoromethyl)phenyl]pyrazol-1-yl]acetamide?
2-[4-[2-(2-hydroxyphenyl)-5-methyl-3-(trifluoromethyl)phenyl]pyrazol-1-yl]acetamide has a molecular weight of 375.35 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2-hydroxyphenyl)-5-methyl-3-(trifluoromethyl)phenyl]pyrazol-1-yl]acetamide is sourced from PubChem (CID 155161896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).