[2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-phenylmethoxyphenyl]methanol

C19H17F3N2O2 — CID 155746018

IUPAC[2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-phenylmethoxyphenyl]methanol
SMILESCn1cc(-c2ccc(OCc3ccccc3)cc2CO)c(C(F)(F)F)n1
InChIInChI=1S/C19H17F3N2O2/c1-24-10-17(18(23-24)19(20,21)22)16-8-7-15(9-14(16)11-25)26-12-13-5-3-2-4-6-13/h2-10,25H,11-12H2,1H3
InChIKeyBSWFMOQXSTWUCT-UHFFFAOYSA-N
MW362.35 g/mol
LogP4.18
Rot. Bonds5

About [2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-phenylmethoxyphenyl]methanol

[2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-phenylmethoxyphenyl]methanol (PubChem CID 155746018) has the molecular formula C19H17F3N2O2 and a molecular weight of 362.35 g/mol. Its IUPAC name is [2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-phenylmethoxyphenyl]methanol.

Molecular Properties

Compound Name[2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-phenylmethoxyphenyl]methanol
PubChem CID155746018
Molecular FormulaC19H17F3N2O2
Molecular Weight362.35 g/mol
Exact Mass362.12
IUPAC Name[2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-phenylmethoxyphenyl]methanol
SMILESCn1cc(-c2ccc(OCc3ccccc3)cc2CO)c(C(F)(F)F)n1
InChIInChI=1S/C19H17F3N2O2/c1-24-10-17(18(23-24)19(20,21)22)16-8-7-15(9-14(16)11-25)26-12-13-5-3-2-4-6-13/h2-10,25H,11-12H2,1H3
InChIKeyBSWFMOQXSTWUCT-UHFFFAOYSA-N
XLogP4.18
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-[(4-chlorophenyl)methoxy]-2-fluorophenyl]-1-methyl-3-(trifluoromethyl)pyrazole
CID 146433212
chromium;2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-(phenylmethoxy)pyridine
CID 155745979
2-phenyl-5-phenylmethoxyphenol
CID 123808909
5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-phenylpyridine
CID 167969599
1-methyl-4-phenylmethoxypyrazole
CID 84661432
2-methyl-5-phenylmethoxyindazole-3-carboxylic acid
CID 170357791
2-phenylmethoxy-9-(trifluoromethyl)fluoren-9-ol
CID 59493195
2,6-bis(phenylmethoxy)anthracene-9,10-dione
CID 147621413
[3-(4-fluorophenyl)-1-[(4-phenylmethoxyphenyl)methyl]pyrazol-4-yl]methanol
CID 69423063
2-(2-hydroxy-5-phenylmethoxyphenyl)-4-phenylmethoxyphenol
CID 71613877
benzyl 2-methyl-5-phenylmethoxyindazole-3-carboxylate
CID 170357733
1-methyl-4-phenylmethoxypyrrol-2-ol
CID 134892520

Frequently Asked Questions

What is the IUPAC name of [2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-phenylmethoxyphenyl]methanol?
The IUPAC name of [2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-phenylmethoxyphenyl]methanol (CID 155746018) is [2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-phenylmethoxyphenyl]methanol.
What is the SMILES notation for [2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-phenylmethoxyphenyl]methanol?
The canonical SMILES for [2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-phenylmethoxyphenyl]methanol is Cn1cc(-c2ccc(OCc3ccccc3)cc2CO)c(C(F)(F)F)n1.
What is the InChIKey of [2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-phenylmethoxyphenyl]methanol?
The InChIKey is BSWFMOQXSTWUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O2/c1-24-10-17(18(23-24)19(20,21)22)16-8-7-15(9-14(16)11-25)26-12-13-5-3-2-4-6-13/h2-10,25H,11-12H2,1H3.
What are the key properties of [2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-phenylmethoxyphenyl]methanol?
[2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-phenylmethoxyphenyl]methanol has a molecular weight of 362.35 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-phenylmethoxyphenyl]methanol is sourced from PubChem (CID 155746018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).