[1-methyl-3-phenyl-5-[3-(trifluoromethyl)phenoxy]pyrazol-4-yl]methanol

C18H15F3N2O2 — CID 1476564

IUPAC[1-methyl-3-phenyl-5-[3-(trifluoromethyl)phenoxy]pyrazol-4-yl]methanol
SMILESCn1nc(-c2ccccc2)c(CO)c1Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H15F3N2O2/c1-23-17(25-14-9-5-8-13(10-14)18(19,20)21)15(11-24)16(22-23)12-6-3-2-4-7-12/h2-10,24H,11H2,1H3
InChIKeyBDYYSWLLJJAPKD-UHFFFAOYSA-N
MW348.32 g/mol
LogP4.39
Rot. Bonds4

About [1-methyl-3-phenyl-5-[3-(trifluoromethyl)phenoxy]pyrazol-4-yl]methanol

[1-methyl-3-phenyl-5-[3-(trifluoromethyl)phenoxy]pyrazol-4-yl]methanol (PubChem CID 1476564) has the molecular formula C18H15F3N2O2 and a molecular weight of 348.32 g/mol. Its IUPAC name is [1-methyl-3-phenyl-5-[3-(trifluoromethyl)phenoxy]pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[1-methyl-3-phenyl-5-[3-(trifluoromethyl)phenoxy]pyrazol-4-yl]methanol
PubChem CID1476564
Molecular FormulaC18H15F3N2O2
Molecular Weight348.32 g/mol
Exact Mass348.11
IUPAC Name[1-methyl-3-phenyl-5-[3-(trifluoromethyl)phenoxy]pyrazol-4-yl]methanol
SMILESCn1nc(-c2ccccc2)c(CO)c1Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H15F3N2O2/c1-23-17(25-14-9-5-8-13(10-14)18(19,20)21)15(11-24)16(22-23)12-6-3-2-4-7-12/h2-10,24H,11H2,1H3
InChIKeyBDYYSWLLJJAPKD-UHFFFAOYSA-N
XLogP4.39
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.32
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-benzyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]methanol
CID 2496576
[3-(3-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methanol
CID 977051
[5-(4-fluorophenoxy)-1-methyl-3-phenyl-1H-pyrazol-4-yl]methanol
CID 1476560
{1-methyl-3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenoxy]-1H-pyrazol-4-yl}methyl acetate
CID 1478798
{1-methyl-3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenoxy]-1H-pyrazol-4-yl}methyl propionate
CID 1478799
[1-methyl-5-(4-methylphenoxy)-3-phenyl-1H-pyrazol-4-yl]methanol
CID 2763767
2-[1-(3-Methoxybenzyl)-3-(trifluoromethyl)-4-(1,3-benzodioxole-5-ylmethyl)-1H-pyrazole-5-yloxy]ethanol
CID 44277130
5-(3-Methoxyphenyl)-1-methyl-3-phenylpyrazole
CID 44451823
(E)-1-(1,3-dimethyl-5-phenoxypyrazol-4-yl)-N-[[4-(trifluoromethyl)phenyl]methoxy]methanimine
CID 14300833
1-(2,6-difluorophenyl)-2-(1-(4-methoxybenzyl)-3-methyl-1H-pyrazol-5-yl)ethanol
CID 25067457
(E)-1-(1,3-dimethyl-5-phenoxypyrazol-4-yl)-N-[(3-methoxyphenyl)methoxy]methanimine
CID 44399563
1-({[5-(2-Fluorophenoxy)-1-methyl-3-phenyl-1H-pyrazol-4-YL]methyl}(2-methylpropyl)amino)-3-phenylpropan-2-OL
CID 46026358

Frequently Asked Questions

What is the IUPAC name of [1-methyl-3-phenyl-5-[3-(trifluoromethyl)phenoxy]pyrazol-4-yl]methanol?
The IUPAC name of [1-methyl-3-phenyl-5-[3-(trifluoromethyl)phenoxy]pyrazol-4-yl]methanol (CID 1476564) is [1-methyl-3-phenyl-5-[3-(trifluoromethyl)phenoxy]pyrazol-4-yl]methanol.
What is the SMILES notation for [1-methyl-3-phenyl-5-[3-(trifluoromethyl)phenoxy]pyrazol-4-yl]methanol?
The canonical SMILES for [1-methyl-3-phenyl-5-[3-(trifluoromethyl)phenoxy]pyrazol-4-yl]methanol is Cn1nc(-c2ccccc2)c(CO)c1Oc1cccc(C(F)(F)F)c1.
What is the InChIKey of [1-methyl-3-phenyl-5-[3-(trifluoromethyl)phenoxy]pyrazol-4-yl]methanol?
The InChIKey is BDYYSWLLJJAPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2O2/c1-23-17(25-14-9-5-8-13(10-14)18(19,20)21)15(11-24)16(22-23)12-6-3-2-4-7-12/h2-10,24H,11H2,1H3.
What are the key properties of [1-methyl-3-phenyl-5-[3-(trifluoromethyl)phenoxy]pyrazol-4-yl]methanol?
[1-methyl-3-phenyl-5-[3-(trifluoromethyl)phenoxy]pyrazol-4-yl]methanol has a molecular weight of 348.32 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-3-phenyl-5-[3-(trifluoromethyl)phenoxy]pyrazol-4-yl]methanol is sourced from PubChem (CID 1476564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).