4-(4-fluorophenyl)-5-methoxy-3-methyl-1-phenylpyrazole

C17H15FN2O — CID 127028497

IUPAC4-(4-fluorophenyl)-5-methoxy-3-methyl-1-phenylpyrazole
SMILESCOc1c(-c2ccc(F)cc2)c(C)nn1-c1ccccc1
InChIInChI=1S/C17H15FN2O/c1-12-16(13-8-10-14(18)11-9-13)17(21-2)20(19-12)15-6-4-3-5-7-15/h3-11H,1-2H3
InChIKeyQUEKSIWONGIGAZ-UHFFFAOYSA-N
MW282.32 g/mol
LogP4.00
Rot. Bonds3

About 4-(4-fluorophenyl)-5-methoxy-3-methyl-1-phenylpyrazole

4-(4-fluorophenyl)-5-methoxy-3-methyl-1-phenylpyrazole (PubChem CID 127028497) has the molecular formula C17H15FN2O and a molecular weight of 282.32 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-5-methoxy-3-methyl-1-phenylpyrazole.

Molecular Properties

Compound Name4-(4-fluorophenyl)-5-methoxy-3-methyl-1-phenylpyrazole
PubChem CID127028497
Molecular FormulaC17H15FN2O
Molecular Weight282.32 g/mol
Exact Mass282.12
IUPAC Name4-(4-fluorophenyl)-5-methoxy-3-methyl-1-phenylpyrazole
SMILESCOc1c(-c2ccc(F)cc2)c(C)nn1-c1ccccc1
InChIInChI=1S/C17H15FN2O/c1-12-16(13-8-10-14(18)11-9-13)17(21-2)20(19-12)15-6-4-3-5-7-15/h3-11H,1-2H3
InChIKeyQUEKSIWONGIGAZ-UHFFFAOYSA-N
XLogP4.00
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-5-methoxy-3-methylpyrazole-4-carboxylic acid
CID 117124258
5-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 19326239
[1-(3-fluorophenyl)-5-methoxy-3-methylpyrazol-4-yl]methanamine
CID 117123859
2-(5-methoxy-3-methyl-1-phenylpyrazol-4-yl)ethanol
CID 117123475
N-(4-fluorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 22773337
(NZ)-N-[1-(5-methoxy-3-methyl-1-phenylpyrazol-4-yl)ethylidene]hydroxylamine
CID 11075713
4-[2,5-bis(4-fluorophenyl)-3,4-dihydropyrazol-3-yl]-5-(2-fluorophenoxy)-3-methyl-1-phenylpyrazole
CID 118708205
[4-(benzenesulfonyl)-3-methyl-1-phenylpyrazol-5-yl] 4-fluorobenzoate
CID 3388814
3-(4-fluorophenyl)-1-methoxy-2,7-dimethyl-5-phenyl-1-sulfanylidenepyrazolo[4,5-c][1,5,2]diazaphosphinine
CID 4057477
2-[5-methoxy-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]acetic acid
CID 117124290
1-[4-[4-(4-fluorophenyl)-3,5-dimethylpyrazol-1-yl]phenyl]ethanamine
CID 155529535
3-(4-fluorophenyl)-2-methyl-7-phenylpyrazolo[1,5-a]pyrimidine
CID 56920623

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-5-methoxy-3-methyl-1-phenylpyrazole?
The IUPAC name of 4-(4-fluorophenyl)-5-methoxy-3-methyl-1-phenylpyrazole (CID 127028497) is 4-(4-fluorophenyl)-5-methoxy-3-methyl-1-phenylpyrazole.
What is the SMILES notation for 4-(4-fluorophenyl)-5-methoxy-3-methyl-1-phenylpyrazole?
The canonical SMILES for 4-(4-fluorophenyl)-5-methoxy-3-methyl-1-phenylpyrazole is COc1c(-c2ccc(F)cc2)c(C)nn1-c1ccccc1.
What is the InChIKey of 4-(4-fluorophenyl)-5-methoxy-3-methyl-1-phenylpyrazole?
The InChIKey is QUEKSIWONGIGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O/c1-12-16(13-8-10-14(18)11-9-13)17(21-2)20(19-12)15-6-4-3-5-7-15/h3-11H,1-2H3.
What are the key properties of 4-(4-fluorophenyl)-5-methoxy-3-methyl-1-phenylpyrazole?
4-(4-fluorophenyl)-5-methoxy-3-methyl-1-phenylpyrazole has a molecular weight of 282.32 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-5-methoxy-3-methyl-1-phenylpyrazole is sourced from PubChem (CID 127028497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).