N-[(2R)-2,3-dihydroxypropyl]-5-[[3-(trifluoromethyl)phenoxy]methyl]-1H-pyrazole-3-carboxamide

C15H16F3N3O4 — CID 95226209

IUPACN-[(2R)-2,3-dihydroxypropyl]-5-[[3-(trifluoromethyl)phenoxy]methyl]-1H-pyrazole-3-carboxamide
SMILESO=C(NC[C@@H](O)CO)c1cc(COc2cccc(C(F)(F)F)c2)[nH]n1
InChIInChI=1S/C15H16F3N3O4/c16-15(17,18)9-2-1-3-12(4-9)25-8-10-5-13(21-20-10)14(24)19-6-11(23)7-22/h1-5,11,22-23H,6-8H2,(H,19,24)(H,20,21)/t11-/m1/s1
InChIKeyTXSYUEHEESPZDR-LLVKDONJSA-N
MW359.30 g/mol
LogP1.09
Rot. Bonds7

About N-[(2R)-2,3-dihydroxypropyl]-5-[[3-(trifluoromethyl)phenoxy]methyl]-1H-pyrazole-3-carboxamide

N-[(2R)-2,3-dihydroxypropyl]-5-[[3-(trifluoromethyl)phenoxy]methyl]-1H-pyrazole-3-carboxamide (PubChem CID 95226209) has the molecular formula C15H16F3N3O4 and a molecular weight of 359.30 g/mol. Its IUPAC name is N-[(2R)-2,3-dihydroxypropyl]-5-[[3-(trifluoromethyl)phenoxy]methyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2,3-dihydroxypropyl]-5-[[3-(trifluoromethyl)phenoxy]methyl]-1H-pyrazole-3-carboxamide
PubChem CID95226209
Molecular FormulaC15H16F3N3O4
Molecular Weight359.30 g/mol
Exact Mass359.11
IUPAC NameN-[(2R)-2,3-dihydroxypropyl]-5-[[3-(trifluoromethyl)phenoxy]methyl]-1H-pyrazole-3-carboxamide
SMILESO=C(NC[C@@H](O)CO)c1cc(COc2cccc(C(F)(F)F)c2)[nH]n1
InChIInChI=1S/C15H16F3N3O4/c16-15(17,18)9-2-1-3-12(4-9)25-8-10-5-13(21-20-10)14(24)19-6-11(23)7-22/h1-5,11,22-23H,6-8H2,(H,19,24)(H,20,21)/t11-/m1/s1
InChIKeyTXSYUEHEESPZDR-LLVKDONJSA-N
XLogP1.09
TPSA107.47 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.30
LogP ≤ 51.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethoxyethyl)-5-[[3-(trifluoromethyl)phenoxy]methyl]-1H-pyrazole-3-carboxamide
CID 56757658
N-[(2S)-1-methoxypropan-2-yl]-5-[[3-(trifluoromethyl)phenoxy]methyl]-1H-pyrazole-3-carboxamide
CID 26396732
[4-(2-hydroxyethyl)piperazin-1-yl]-[5-[[3-(trifluoromethyl)phenoxy]methyl]-1H-pyrazol-3-yl]methanone
CID 31018518
N-[(2S)-2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]benzamide
CID 52503690
[(3S)-3-hydroxypyrrolidin-1-yl]-[5-[[3-(trifluoromethyl)phenoxy]methyl]-1H-pyrazol-3-yl]methanone
CID 56856200
N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-1H-indazole-3-carboxamide
CID 47932682
N-[(2S)-2-hydroxybutyl]-5-[(2-methoxyphenoxy)methyl]-1H-pyrazole-3-carboxamide
CID 95191354
N-[(2R)-2,3-dihydroxypropyl]-5-[(3-fluorophenoxy)methyl]-N-methyl-1H-pyrazole-3-carboxamide
CID 95559001
3-ethoxy-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]benzamide
CID 47932930
N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-6-oxo-1H-pyridine-2-carboxamide
CID 102563811
N-[(2S)-2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-6-oxo-1H-pyridine-2-carboxamide
CID 99801130
N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]furan-2-carboxamide
CID 47932845

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2,3-dihydroxypropyl]-5-[[3-(trifluoromethyl)phenoxy]methyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(2R)-2,3-dihydroxypropyl]-5-[[3-(trifluoromethyl)phenoxy]methyl]-1H-pyrazole-3-carboxamide (CID 95226209) is N-[(2R)-2,3-dihydroxypropyl]-5-[[3-(trifluoromethyl)phenoxy]methyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(2R)-2,3-dihydroxypropyl]-5-[[3-(trifluoromethyl)phenoxy]methyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(2R)-2,3-dihydroxypropyl]-5-[[3-(trifluoromethyl)phenoxy]methyl]-1H-pyrazole-3-carboxamide is O=C(NC[C@@H](O)CO)c1cc(COc2cccc(C(F)(F)F)c2)[nH]n1.
What is the InChIKey of N-[(2R)-2,3-dihydroxypropyl]-5-[[3-(trifluoromethyl)phenoxy]methyl]-1H-pyrazole-3-carboxamide?
The InChIKey is TXSYUEHEESPZDR-LLVKDONJSA-N. The full InChI is InChI=1S/C15H16F3N3O4/c16-15(17,18)9-2-1-3-12(4-9)25-8-10-5-13(21-20-10)14(24)19-6-11(23)7-22/h1-5,11,22-23H,6-8H2,(H,19,24)(H,20,21)/t11-/m1/s1.
What are the key properties of N-[(2R)-2,3-dihydroxypropyl]-5-[[3-(trifluoromethyl)phenoxy]methyl]-1H-pyrazole-3-carboxamide?
N-[(2R)-2,3-dihydroxypropyl]-5-[[3-(trifluoromethyl)phenoxy]methyl]-1H-pyrazole-3-carboxamide has a molecular weight of 359.30 g/mol, XLogP of 1.09, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2,3-dihydroxypropyl]-5-[[3-(trifluoromethyl)phenoxy]methyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 95226209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).