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

C12H10F3N3O2 — CID 19531021

IUPACN-(3-hydroxyphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESO=C(Cn1ccc(C(F)(F)F)n1)Nc1cccc(O)c1
InChIInChI=1S/C12H10F3N3O2/c13-12(14,15)10-4-5-18(17-10)7-11(20)16-8-2-1-3-9(19)6-8/h1-6,19H,7H2,(H,16,20)
InChIKeyHDUIMMNVMZBGHS-UHFFFAOYSA-N
MW285.23 g/mol
LogP2.25
Rot. Bonds3

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

N-(3-hydroxyphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 19531021) has the molecular formula C12H10F3N3O2 and a molecular weight of 285.23 g/mol. Its IUPAC name is N-(3-hydroxyphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-hydroxyphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID19531021
Molecular FormulaC12H10F3N3O2
Molecular Weight285.23 g/mol
Exact Mass285.07
IUPAC NameN-(3-hydroxyphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESO=C(Cn1ccc(C(F)(F)F)n1)Nc1cccc(O)c1
InChIInChI=1S/C12H10F3N3O2/c13-12(14,15)10-4-5-18(17-10)7-11(20)16-8-2-1-3-9(19)6-8/h1-6,19H,7H2,(H,16,20)
InChIKeyHDUIMMNVMZBGHS-UHFFFAOYSA-N
XLogP2.25
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.23
LogP ≤ 52.25
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-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-(3-hydroxyphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 19531021) is N-(3-hydroxyphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(3-hydroxyphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-(3-hydroxyphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is O=C(Cn1ccc(C(F)(F)F)n1)Nc1cccc(O)c1.
What is the InChIKey of N-(3-hydroxyphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is HDUIMMNVMZBGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O2/c13-12(14,15)10-4-5-18(17-10)7-11(20)16-8-2-1-3-9(19)6-8/h1-6,19H,7H2,(H,16,20).
What are the key properties of N-(3-hydroxyphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-(3-hydroxyphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 285.23 g/mol, XLogP of 2.25, 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-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 19531021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).