1-methyl-5-[2-phenylmethoxy-5-(trifluoromethoxy)phenyl]pyrazole

C18H15F3N2O2 — CID 59436568

IUPAC1-methyl-5-[2-phenylmethoxy-5-(trifluoromethoxy)phenyl]pyrazole
SMILESCn1nccc1-c1cc(OC(F)(F)F)ccc1OCc1ccccc1
InChIInChI=1S/C18H15F3N2O2/c1-23-16(9-10-22-23)15-11-14(25-18(19,20)21)7-8-17(15)24-12-13-5-3-2-4-6-13/h2-11H,12H2,1H3
InChIKeyTYOVAKXCPUPHON-UHFFFAOYSA-N
MW348.32 g/mol
LogP4.56
Rot. Bonds5

About 1-methyl-5-[2-phenylmethoxy-5-(trifluoromethoxy)phenyl]pyrazole

1-methyl-5-[2-phenylmethoxy-5-(trifluoromethoxy)phenyl]pyrazole (PubChem CID 59436568) has the molecular formula C18H15F3N2O2 and a molecular weight of 348.32 g/mol. Its IUPAC name is 1-methyl-5-[2-phenylmethoxy-5-(trifluoromethoxy)phenyl]pyrazole.

Molecular Properties

Compound Name1-methyl-5-[2-phenylmethoxy-5-(trifluoromethoxy)phenyl]pyrazole
PubChem CID59436568
Molecular FormulaC18H15F3N2O2
Molecular Weight348.32 g/mol
Exact Mass348.11
IUPAC Name1-methyl-5-[2-phenylmethoxy-5-(trifluoromethoxy)phenyl]pyrazole
SMILESCn1nccc1-c1cc(OC(F)(F)F)ccc1OCc1ccccc1
InChIInChI=1S/C18H15F3N2O2/c1-23-16(9-10-22-23)15-11-14(25-18(19,20)21)7-8-17(15)24-12-13-5-3-2-4-6-13/h2-11H,12H2,1H3
InChIKeyTYOVAKXCPUPHON-UHFFFAOYSA-N
XLogP4.56
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.32
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-benzyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]methanol
CID 2496576
3-fluoro-4-[(2S)-1-[3-(2-methylpyrazol-3-yl)phenoxy]propan-2-yl]oxybenzonitrile
CID 138471321
3-Methoxy-4-[2-[3-(2-methylpyrazol-3-yl)phenoxy]ethoxy]benzonitrile
CID 138471340
2-(3-{2-[(4-fluorobenzyl)oxy]phenyl}-1H-pyrazol-1-yl)-1-ethanol
CID 1485523
3-[4-(4-Fluoro-phenoxy)-phenyl]-1-methyl-1H-pyrazole
CID 11242617
3-methyl-4-[(2S)-1-[3-(2-methylpyrazol-3-yl)phenoxy]propan-2-yl]oxybenzonitrile
CID 138471279
3-fluoro-4-((1-(3-(1-methyl-1H-pyrazol-5-yl)phenoxy)propan-2-yl)oxy)benzonitrile
CID 138471284
(R)-3-fluoro-4-((1-(3-(1-methyl-1H-pyrazol-5-yl)phenoxy)propan-2-yl)oxy)benzonitrile
CID 138471404
[3-(3-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methanol
CID 977051
5-(4-Butoxy-phenyl)-1-methyl-1H-pyrazole
CID 11195591
4-((3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl)methyl)-1-(2-fluorophenyl)-5-methyl-1H-pyrazole
CID 49862237
1-[3-[4-(2-Methylpyrazol-3-yl)phenoxy]propyl]piperidine
CID 56661468

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[2-phenylmethoxy-5-(trifluoromethoxy)phenyl]pyrazole?
The IUPAC name of 1-methyl-5-[2-phenylmethoxy-5-(trifluoromethoxy)phenyl]pyrazole (CID 59436568) is 1-methyl-5-[2-phenylmethoxy-5-(trifluoromethoxy)phenyl]pyrazole.
What is the SMILES notation for 1-methyl-5-[2-phenylmethoxy-5-(trifluoromethoxy)phenyl]pyrazole?
The canonical SMILES for 1-methyl-5-[2-phenylmethoxy-5-(trifluoromethoxy)phenyl]pyrazole is Cn1nccc1-c1cc(OC(F)(F)F)ccc1OCc1ccccc1.
What is the InChIKey of 1-methyl-5-[2-phenylmethoxy-5-(trifluoromethoxy)phenyl]pyrazole?
The InChIKey is TYOVAKXCPUPHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2O2/c1-23-16(9-10-22-23)15-11-14(25-18(19,20)21)7-8-17(15)24-12-13-5-3-2-4-6-13/h2-11H,12H2,1H3.
What are the key properties of 1-methyl-5-[2-phenylmethoxy-5-(trifluoromethoxy)phenyl]pyrazole?
1-methyl-5-[2-phenylmethoxy-5-(trifluoromethoxy)phenyl]pyrazole has a molecular weight of 348.32 g/mol, XLogP of 4.56, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[2-phenylmethoxy-5-(trifluoromethoxy)phenyl]pyrazole is sourced from PubChem (CID 59436568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).