5-(4-methoxyphenyl)-3-phenyl-4-(trifluoromethyl)-1H-pyrazole

C17H13F3N2O — CID 132505617

IUPAC5-(4-methoxyphenyl)-3-phenyl-4-(trifluoromethyl)-1H-pyrazole
SMILESCOc1ccc(-c2[nH]nc(-c3ccccc3)c2C(F)(F)F)cc1
InChIInChI=1S/C17H13F3N2O/c1-23-13-9-7-12(8-10-13)16-14(17(18,19)20)15(21-22-16)11-5-3-2-4-6-11/h2-10H,1H3,(H,21,22)
InChIKeyVCKMQVMCOLQVOG-UHFFFAOYSA-N
MW318.30 g/mol
LogP4.77
Rot. Bonds3

About 5-(4-methoxyphenyl)-3-phenyl-4-(trifluoromethyl)-1H-pyrazole

5-(4-methoxyphenyl)-3-phenyl-4-(trifluoromethyl)-1H-pyrazole (PubChem CID 132505617) has the molecular formula C17H13F3N2O and a molecular weight of 318.30 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-3-phenyl-4-(trifluoromethyl)-1H-pyrazole.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-3-phenyl-4-(trifluoromethyl)-1H-pyrazole
PubChem CID132505617
Molecular FormulaC17H13F3N2O
Molecular Weight318.30 g/mol
Exact Mass318.10
IUPAC Name5-(4-methoxyphenyl)-3-phenyl-4-(trifluoromethyl)-1H-pyrazole
SMILESCOc1ccc(-c2[nH]nc(-c3ccccc3)c2C(F)(F)F)cc1
InChIInChI=1S/C17H13F3N2O/c1-23-13-9-7-12(8-10-13)16-14(17(18,19)20)15(21-22-16)11-5-3-2-4-6-11/h2-10H,1H3,(H,21,22)
InChIKeyVCKMQVMCOLQVOG-UHFFFAOYSA-N
XLogP4.77
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[5-(4-methoxyphenyl)-3-phenyl-1H-pyrazol-4-yl] acetate
CID 141386587
1,5-bis(4-methoxyphenyl)-2,3-diphenyl-4,6-bis(trifluoromethyl)benzene
CID 46189438
3,6-bis(4-methoxyphenyl)-4,5-bis(trifluoromethyl)pyridazine
CID 15369983
3-(4-methoxyphenyl)-4-phenyl-1H-pyridazin-6-one
CID 18759983
5-(4-methoxyphenyl)-3-[3-[5-(4-methoxyphenyl)-4-methyl-1H-pyrazol-3-yl]phenyl]-4-methyl-1H-pyrazole
CID 118529653
4,5-bis(4-methoxyphenyl)-2-(trifluoromethyl)-1H-imidazole
CID 90189417
4-(4-methoxyphenyl)-2-[4-[4-(4-methoxyphenyl)-5-phenyl-1H-imidazol-2-yl]phenyl]-5-phenyl-1H-imidazole
CID 136591177
4,5-bis[4-(4-methoxyphenyl)phenyl]-2-phenyl-1H-imidazole
CID 86068927
3-(4-methoxyphenyl)-5-phenyl-1H-pyrazolo[3,4-c]pyridazine
CID 15040788
1-[4-(4-methoxyphenyl)phenyl]-3,5-diphenylbenzene
CID 176774050
[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-phenyldiazene
CID 3280573
5-methoxy-2-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol
CID 943784

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-3-phenyl-4-(trifluoromethyl)-1H-pyrazole?
The IUPAC name of 5-(4-methoxyphenyl)-3-phenyl-4-(trifluoromethyl)-1H-pyrazole (CID 132505617) is 5-(4-methoxyphenyl)-3-phenyl-4-(trifluoromethyl)-1H-pyrazole.
What is the SMILES notation for 5-(4-methoxyphenyl)-3-phenyl-4-(trifluoromethyl)-1H-pyrazole?
The canonical SMILES for 5-(4-methoxyphenyl)-3-phenyl-4-(trifluoromethyl)-1H-pyrazole is COc1ccc(-c2[nH]nc(-c3ccccc3)c2C(F)(F)F)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-3-phenyl-4-(trifluoromethyl)-1H-pyrazole?
The InChIKey is VCKMQVMCOLQVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O/c1-23-13-9-7-12(8-10-13)16-14(17(18,19)20)15(21-22-16)11-5-3-2-4-6-11/h2-10H,1H3,(H,21,22).
What are the key properties of 5-(4-methoxyphenyl)-3-phenyl-4-(trifluoromethyl)-1H-pyrazole?
5-(4-methoxyphenyl)-3-phenyl-4-(trifluoromethyl)-1H-pyrazole has a molecular weight of 318.30 g/mol, XLogP of 4.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-3-phenyl-4-(trifluoromethyl)-1H-pyrazole is sourced from PubChem (CID 132505617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).