5-phenylmethoxy-4-[4-(trifluoromethoxy)phenyl]-1H-pyrazole

C17H13F3N2O2 — CID 67459181

IUPAC5-phenylmethoxy-4-[4-(trifluoromethoxy)phenyl]-1H-pyrazole
SMILESFC(F)(F)Oc1ccc(-c2cn[nH]c2OCc2ccccc2)cc1
InChIInChI=1S/C17H13F3N2O2/c18-17(19,20)24-14-8-6-13(7-9-14)15-10-21-22-16(15)23-11-12-4-2-1-3-5-12/h1-10H,11H2,(H,21,22)
InChIKeySEGFWYVARVOFDP-UHFFFAOYSA-N
MW334.30 g/mol
LogP4.55
Rot. Bonds5

About 5-phenylmethoxy-4-[4-(trifluoromethoxy)phenyl]-1H-pyrazole

5-phenylmethoxy-4-[4-(trifluoromethoxy)phenyl]-1H-pyrazole (PubChem CID 67459181) has the molecular formula C17H13F3N2O2 and a molecular weight of 334.30 g/mol. Its IUPAC name is 5-phenylmethoxy-4-[4-(trifluoromethoxy)phenyl]-1H-pyrazole.

Molecular Properties

Compound Name5-phenylmethoxy-4-[4-(trifluoromethoxy)phenyl]-1H-pyrazole
PubChem CID67459181
Molecular FormulaC17H13F3N2O2
Molecular Weight334.30 g/mol
Exact Mass334.09
IUPAC Name5-phenylmethoxy-4-[4-(trifluoromethoxy)phenyl]-1H-pyrazole
SMILESFC(F)(F)Oc1ccc(-c2cn[nH]c2OCc2ccccc2)cc1
InChIInChI=1S/C17H13F3N2O2/c18-17(19,20)24-14-8-6-13(7-9-14)15-10-21-22-16(15)23-11-12-4-2-1-3-5-12/h1-10H,11H2,(H,21,22)
InChIKeySEGFWYVARVOFDP-UHFFFAOYSA-N
XLogP4.55
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.30
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-phenylmethoxy-1H-pyrazol-4-yl)pyridine
CID 67461933
2-phenylmethoxy-4-[4-(trifluoromethoxy)phenyl]aniline
CID 171921767
4-ethenyl-2-(4-phenylmethoxyphenyl)-1-(trifluoromethoxy)benzene
CID 172879654
1-(2-phenylethyl)-4-(trifluoromethoxy)benzene
CID 91341581
5-(4-methylsulfonylphenyl)-4-[4-(trifluoromethoxy)phenyl]-1H-pyrazole
CID 19355318
2-N,4-N-dibenzyl-6-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine
CID 101255631
[4-[[4-(trifluoromethoxy)phenoxy]methyl]phenyl]methanol
CID 115969593
2-[4-(trifluoromethoxy)phenyl]phenol
CID 23225048
1-(trifluoromethoxy)-2-[4-(trifluoromethoxy)phenyl]benzene
CID 90959680
5-phenylmethoxy-2-[3-(trifluoromethoxy)phenyl]aniline
CID 172674848
1-chloro-2-[[4-(trifluoromethoxy)phenyl]methoxy]benzene
CID 64763975
2-methyl-5-phenylpyridine;2-methyl-5-[4-(trifluoromethoxy)phenyl]pyridine
CID 158386173

Frequently Asked Questions

What is the IUPAC name of 5-phenylmethoxy-4-[4-(trifluoromethoxy)phenyl]-1H-pyrazole?
The IUPAC name of 5-phenylmethoxy-4-[4-(trifluoromethoxy)phenyl]-1H-pyrazole (CID 67459181) is 5-phenylmethoxy-4-[4-(trifluoromethoxy)phenyl]-1H-pyrazole.
What is the SMILES notation for 5-phenylmethoxy-4-[4-(trifluoromethoxy)phenyl]-1H-pyrazole?
The canonical SMILES for 5-phenylmethoxy-4-[4-(trifluoromethoxy)phenyl]-1H-pyrazole is FC(F)(F)Oc1ccc(-c2cn[nH]c2OCc2ccccc2)cc1.
What is the InChIKey of 5-phenylmethoxy-4-[4-(trifluoromethoxy)phenyl]-1H-pyrazole?
The InChIKey is SEGFWYVARVOFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O2/c18-17(19,20)24-14-8-6-13(7-9-14)15-10-21-22-16(15)23-11-12-4-2-1-3-5-12/h1-10H,11H2,(H,21,22).
What are the key properties of 5-phenylmethoxy-4-[4-(trifluoromethoxy)phenyl]-1H-pyrazole?
5-phenylmethoxy-4-[4-(trifluoromethoxy)phenyl]-1H-pyrazole has a molecular weight of 334.30 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenylmethoxy-4-[4-(trifluoromethoxy)phenyl]-1H-pyrazole is sourced from PubChem (CID 67459181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).