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

C17H13F3N2O — CID 174890629

IUPAC5-[[4-[4-(trifluoromethoxy)phenyl]phenyl]methyl]-1H-pyrazole
SMILESFC(F)(F)Oc1ccc(-c2ccc(Cc3ccn[nH]3)cc2)cc1
InChIInChI=1S/C17H13F3N2O/c18-17(19,20)23-16-7-5-14(6-8-16)13-3-1-12(2-4-13)11-15-9-10-21-22-15/h1-10H,11H2,(H,21,22)
InChIKeyDJODGZFONFCNOP-UHFFFAOYSA-N
MW318.30 g/mol
LogP4.57
Rot. Bonds4

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

5-[[4-[4-(trifluoromethoxy)phenyl]phenyl]methyl]-1H-pyrazole (PubChem CID 174890629) has the molecular formula C17H13F3N2O and a molecular weight of 318.30 g/mol. Its IUPAC name is 5-[[4-[4-(trifluoromethoxy)phenyl]phenyl]methyl]-1H-pyrazole.

Molecular Properties

Compound Name5-[[4-[4-(trifluoromethoxy)phenyl]phenyl]methyl]-1H-pyrazole
PubChem CID174890629
Molecular FormulaC17H13F3N2O
Molecular Weight318.30 g/mol
Exact Mass318.10
IUPAC Name5-[[4-[4-(trifluoromethoxy)phenyl]phenyl]methyl]-1H-pyrazole
SMILESFC(F)(F)Oc1ccc(-c2ccc(Cc3ccn[nH]3)cc2)cc1
InChIInChI=1S/C17H13F3N2O/c18-17(19,20)23-16-7-5-14(6-8-16)13-3-1-12(2-4-13)11-15-9-10-21-22-15/h1-10H,11H2,(H,21,22)
InChIKeyDJODGZFONFCNOP-UHFFFAOYSA-N
XLogP4.57
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1H-pyrazol-5-ylmethyl)-1-[4-(trifluoromethoxy)phenyl]methanamine
CID 61284669
1-ethyl-4-[4-(trifluoromethoxy)phenyl]benzene
CID 19436313
2-[[4-(trifluoromethoxy)phenyl]methyl]pyrimidine
CID 68630973
4-(1H-pyrazol-5-ylmethyl)pyridine
CID 57052578
1-(1H-pyrazol-5-ylmethyl)-3-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]urea
CID 94030672
5-(trifluoromethoxy)-1H-pyrazole
CID 76545932
1-pentyl-4-[4-[2-[4-(trifluoromethoxy)phenyl]ethyl]phenyl]benzene
CID 18984117
2-(chloromethyl)-5-[4-(trifluoromethoxy)phenyl]pyridine
CID 154074447
5-[3-[4-(trifluoromethoxy)phenyl]phenyl]-1H-1,2,4-triazole
CID 175871586
3-[4-[4-(trifluoromethoxy)phenyl]phenyl]propanamide
CID 155345859
5-[4-[(4-ethoxyphenyl)methyl]phenyl]-1H-pyrazole
CID 90323208
2-[[4-(trifluoromethoxy)phenyl]methyl]phenol
CID 67458560

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[4-(trifluoromethoxy)phenyl]phenyl]methyl]-1H-pyrazole?
The IUPAC name of 5-[[4-[4-(trifluoromethoxy)phenyl]phenyl]methyl]-1H-pyrazole (CID 174890629) is 5-[[4-[4-(trifluoromethoxy)phenyl]phenyl]methyl]-1H-pyrazole.
What is the SMILES notation for 5-[[4-[4-(trifluoromethoxy)phenyl]phenyl]methyl]-1H-pyrazole?
The canonical SMILES for 5-[[4-[4-(trifluoromethoxy)phenyl]phenyl]methyl]-1H-pyrazole is FC(F)(F)Oc1ccc(-c2ccc(Cc3ccn[nH]3)cc2)cc1.
What is the InChIKey of 5-[[4-[4-(trifluoromethoxy)phenyl]phenyl]methyl]-1H-pyrazole?
The InChIKey is DJODGZFONFCNOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O/c18-17(19,20)23-16-7-5-14(6-8-16)13-3-1-12(2-4-13)11-15-9-10-21-22-15/h1-10H,11H2,(H,21,22).
What are the key properties of 5-[[4-[4-(trifluoromethoxy)phenyl]phenyl]methyl]-1H-pyrazole?
5-[[4-[4-(trifluoromethoxy)phenyl]phenyl]methyl]-1H-pyrazole has a molecular weight of 318.30 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[4-(trifluoromethoxy)phenyl]phenyl]methyl]-1H-pyrazole is sourced from PubChem (CID 174890629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).