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

C13H12F3N3O2 — CID 19522071

IUPACN-(3-hydroxyphenyl)-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCc1cc(C(F)(F)F)n(CC(=O)Nc2cccc(O)c2)n1
InChIInChI=1S/C13H12F3N3O2/c1-8-5-11(13(14,15)16)19(18-8)7-12(21)17-9-3-2-4-10(20)6-9/h2-6,20H,7H2,1H3,(H,17,21)
InChIKeyVXQBFQSFEXANIB-UHFFFAOYSA-N
MW299.25 g/mol
LogP2.55
Rot. Bonds3

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

N-(3-hydroxyphenyl)-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 19522071) has the molecular formula C13H12F3N3O2 and a molecular weight of 299.25 g/mol. Its IUPAC name is N-(3-hydroxyphenyl)-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-hydroxyphenyl)-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID19522071
Molecular FormulaC13H12F3N3O2
Molecular Weight299.25 g/mol
Exact Mass299.09
IUPAC NameN-(3-hydroxyphenyl)-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCc1cc(C(F)(F)F)n(CC(=O)Nc2cccc(O)c2)n1
InChIInChI=1S/C13H12F3N3O2/c1-8-5-11(13(14,15)16)19(18-8)7-12(21)17-9-3-2-4-10(20)6-9/h2-6,20H,7H2,1H3,(H,17,21)
InChIKeyVXQBFQSFEXANIB-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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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxyphenyl)-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-(3-hydroxyphenyl)-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 19522071) is N-(3-hydroxyphenyl)-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(3-hydroxyphenyl)-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-(3-hydroxyphenyl)-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetamide is Cc1cc(C(F)(F)F)n(CC(=O)Nc2cccc(O)c2)n1.
What is the InChIKey of N-(3-hydroxyphenyl)-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is VXQBFQSFEXANIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O2/c1-8-5-11(13(14,15)16)19(18-8)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-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-(3-hydroxyphenyl)-2-[3-methyl-5-(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-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 19522071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).