N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-methylpyrazole-3-carboxamide

C15H16F3N3O3 — CID 110911249

IUPACN-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NCC(O)COc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H16F3N3O3/c1-21-13(6-7-20-21)14(23)19-8-11(22)9-24-12-4-2-10(3-5-12)15(16,17)18/h2-7,11,22H,8-9H2,1H3,(H,19,23)
InChIKeyVGLAGVSYRLMRAA-UHFFFAOYSA-N
MW343.31 g/mol
LogP1.61
Rot. Bonds6

About N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-methylpyrazole-3-carboxamide

N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-methylpyrazole-3-carboxamide (PubChem CID 110911249) has the molecular formula C15H16F3N3O3 and a molecular weight of 343.31 g/mol. Its IUPAC name is N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-methylpyrazole-3-carboxamide
PubChem CID110911249
Molecular FormulaC15H16F3N3O3
Molecular Weight343.31 g/mol
Exact Mass343.11
IUPAC NameN-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NCC(O)COc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H16F3N3O3/c1-21-13(6-7-20-21)14(23)19-8-11(22)9-24-12-4-2-10(3-5-12)15(16,17)18/h2-7,11,22H,8-9H2,1H3,(H,19,23)
InChIKeyVGLAGVSYRLMRAA-UHFFFAOYSA-N
XLogP1.61
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.31
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Lipid Droplet Inhibitor ML360
CID 70789742
4-fluoro-1-methyl-N-[[4-(4-methylphenoxy)phenyl]methyl]pyrazole-5-carboxamide
CID 162642917
US11401270, Example 145
CID 142566990
3-tert-butyl-N-[2-(2-hydroxy-2-methylpropoxy)-5-(trifluoromethyl)phenyl]-1-[[(2R)-oxolan-2-yl]methyl]pyrazole-5-carboxamide
CID 162659586
N-[2-(4-ethoxyphenyl)ethyl]-2-methylpyrazole-3-carboxamide
CID 57527737
N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-2-methylpyrazole-3-carboxamide
CID 90335213
3-(4-methoxyphenyl)-N-(3-methoxypropyl)-1-methyl-1H-pyrazole-5-carboxamide
CID 4398543
1-[(2-methylphenoxy)methyl]-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide
CID 19277597
2-ethoxy-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 19292673
1-methyl-N-({5-[3-(trifluoromethoxy)phenyl]-2,3-dihydro-1-benzofuran-2-yl}methyl)-1H-pyrazole-5-carboxamide
CID 45244111
N-[(2-ethoxyphenyl)methyl]-1-ethyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 51103752
3-ethyl-N-[2-hydroxy-1-(4-phenoxyphenyl)ethyl]-1-methylpyrazole-5-carboxamide
CID 56965181

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-methylpyrazole-3-carboxamide (CID 110911249) is N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-methylpyrazole-3-carboxamide is Cn1nccc1C(=O)NCC(O)COc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-methylpyrazole-3-carboxamide?
The InChIKey is VGLAGVSYRLMRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O3/c1-21-13(6-7-20-21)14(23)19-8-11(22)9-24-12-4-2-10(3-5-12)15(16,17)18/h2-7,11,22H,8-9H2,1H3,(H,19,23).
What are the key properties of N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-methylpyrazole-3-carboxamide?
N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-methylpyrazole-3-carboxamide has a molecular weight of 343.31 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 110911249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).