[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone

C16H15F3N4O2 — CID 4773393

IUPAC[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone
SMILESCC1=NN(C(=O)c2cc(-c3ccc(C)cc3)n[nH]2)C(O)(C(F)(F)F)C1
InChIInChI=1S/C16H15F3N4O2/c1-9-3-5-11(6-4-9)12-7-13(21-20-12)14(24)23-15(25,16(17,18)19)8-10(2)22-23/h3-7,25H,8H2,1-2H3,(H,20,21)
InChIKeyRIDWIDIGPJSETJ-UHFFFAOYSA-N
MW352.32 g/mol
LogP2.86
Rot. Bonds2

About [5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone

[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone (PubChem CID 4773393) has the molecular formula C16H15F3N4O2 and a molecular weight of 352.32 g/mol. Its IUPAC name is [5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone.

Molecular Properties

Compound Name[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone
PubChem CID4773393
Molecular FormulaC16H15F3N4O2
Molecular Weight352.32 g/mol
Exact Mass352.11
IUPAC Name[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone
SMILESCC1=NN(C(=O)c2cc(-c3ccc(C)cc3)n[nH]2)C(O)(C(F)(F)F)C1
InChIInChI=1S/C16H15F3N4O2/c1-9-3-5-11(6-4-9)12-7-13(21-20-12)14(24)23-15(25,16(17,18)19)8-10(2)22-23/h3-7,25H,8H2,1-2H3,(H,20,21)
InChIKeyRIDWIDIGPJSETJ-UHFFFAOYSA-N
XLogP2.86
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.32
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 727014
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CID 145970598
3-(2,4-difluorophenyl)-N-(2-hydroxyethyl)-1H-pyrazole-5-carboxamide
CID 24178169
1-(4-Fluorophenyl)-2-[4-(5-methyl-2H-pyrazole-3-carbonyl)-piperazin-1-yl]ethanone
CID 24811418
{1-[(5-methyl-1H-pyrazol-3-yl)carbonyl]-3-piperidinyl}[3-(trifluoromethyl)phenyl]methanone
CID 24793881
3-(4-fluoro-2-methylphenyl)-N-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 46944140
6-Ethyl-3-methyl-4-phenyl-pyrazolo[3,4-d]pyridazin-7(6h)-one
CID 135412716
3-(4-fluorophenyl)-N-[7-(hydroxyamino)-7-oxoheptyl]-1H-pyrazole-5-carboxamide
CID 145969456
3-(4-fluorophenyl)-N-[6-(hydroxyamino)-6-oxohexyl]-1H-pyrazole-5-carboxamide
CID 145970171
N-[(3R)-1-[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide
CID 168275300
N-(tert-butyl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 16193424
1H-Pyrazolecarboxamide, 5-methyl-N-(3-(trifluoromethyl)phenyl)-
CID 3063855

Frequently Asked Questions

What is the IUPAC name of [5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone?
The IUPAC name of [5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone (CID 4773393) is [5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone.
What is the SMILES notation for [5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone?
The canonical SMILES for [5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone is CC1=NN(C(=O)c2cc(-c3ccc(C)cc3)n[nH]2)C(O)(C(F)(F)F)C1.
What is the InChIKey of [5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone?
The InChIKey is RIDWIDIGPJSETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N4O2/c1-9-3-5-11(6-4-9)12-7-13(21-20-12)14(24)23-15(25,16(17,18)19)8-10(2)22-23/h3-7,25H,8H2,1-2H3,(H,20,21).
What are the key properties of [5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone?
[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone has a molecular weight of 352.32 g/mol, XLogP of 2.86, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone is sourced from PubChem (CID 4773393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).