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

C13H12F3N3O2 — CID 1100793

IUPACN-(3-hydroxyphenyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCc1cc(C(F)(F)F)nn1CC(=O)Nc1cccc(O)c1
InChIInChI=1S/C13H12F3N3O2/c1-8-5-11(13(14,15)16)18-19(8)7-12(21)17-9-3-2-4-10(20)6-9/h2-6,20H,7H2,1H3,(H,17,21)
InChIKeySQAWFGAULGQPFH-UHFFFAOYSA-N
MW299.25 g/mol
LogP2.55
Rot. Bonds3

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

N-(3-hydroxyphenyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 1100793) has the molecular formula C13H12F3N3O2 and a molecular weight of 299.25 g/mol. Its IUPAC name is N-(3-hydroxyphenyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-hydroxyphenyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID1100793
Molecular FormulaC13H12F3N3O2
Molecular Weight299.25 g/mol
Exact Mass299.09
IUPAC NameN-(3-hydroxyphenyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCc1cc(C(F)(F)F)nn1CC(=O)Nc1cccc(O)c1
InChIInChI=1S/C13H12F3N3O2/c1-8-5-11(13(14,15)16)18-19(8)7-12(21)17-9-3-2-4-10(20)6-9/h2-6,20H,7H2,1H3,(H,17,21)
InChIKeySQAWFGAULGQPFH-UHFFFAOYSA-N
XLogP2.55
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.25
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-dimethoxyphenyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 753154
2-[4-Bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-YL]-N-(3-hydroxy-5-nitrophenyl)acetamide
CID 1100803
N-(3-hydroxyphenyl)-2-(5-methyl-3,4-dinitro-1H-pyrazol-1-yl)acetamide
CID 2861608
2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-hydroxyphenyl)acetamide
CID 3655388
N-(4-hydroxyphenyl)-2-(1H-pyrazol-1-yl)acetamide
CID 28788954
4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-(3-hydroxyphenyl)butanamide
CID 4988273
N-(3-hydroxy-5-nitrophenyl)-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
CID 867031
2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 1101544
2-(4-ethyl-3,5-dimethyl-1H-pyrazol-1-yl)-N-[1-(3-fluoro-4-hydroxyphenyl)ethyl]acetamide
CID 56863849
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-methoxyphenyl)acetamide
CID 844037
N-(3-methoxyphenyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 5298176
2-(4-Chloro-5-methyl-3-trifluoromethyl-pyrazol-1-yl)-1-[4-(3-hydroxyphenyl)-piperazin-1-yl]-ethanone
CID 21071082

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxyphenyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-(3-hydroxyphenyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 1100793) is N-(3-hydroxyphenyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(3-hydroxyphenyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-(3-hydroxyphenyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide is Cc1cc(C(F)(F)F)nn1CC(=O)Nc1cccc(O)c1.
What is the InChIKey of N-(3-hydroxyphenyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is SQAWFGAULGQPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O2/c1-8-5-11(13(14,15)16)18-19(8)7-12(21)17-9-3-2-4-10(20)6-9/h2-6,20H,7H2,1H3,(H,17,21).
What are the key properties of N-(3-hydroxyphenyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-(3-hydroxyphenyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 299.25 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxyphenyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 1100793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).