4-[(4-fluorophenyl)methoxy]-1-phenylpyrazole

C16H13FN2O — CID 117234072

IUPAC4-[(4-fluorophenyl)methoxy]-1-phenylpyrazole
SMILESFc1ccc(COc2cnn(-c3ccccc3)c2)cc1
InChIInChI=1S/C16H13FN2O/c17-14-8-6-13(7-9-14)12-20-16-10-18-19(11-16)15-4-2-1-3-5-15/h1-11H,12H2
InChIKeyMHOROOASNVDRKI-UHFFFAOYSA-N
MW268.29 g/mol
LogP3.59
Rot. Bonds4

About 4-[(4-fluorophenyl)methoxy]-1-phenylpyrazole

4-[(4-fluorophenyl)methoxy]-1-phenylpyrazole (PubChem CID 117234072) has the molecular formula C16H13FN2O and a molecular weight of 268.29 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methoxy]-1-phenylpyrazole.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methoxy]-1-phenylpyrazole
PubChem CID117234072
Molecular FormulaC16H13FN2O
Molecular Weight268.29 g/mol
Exact Mass268.10
IUPAC Name4-[(4-fluorophenyl)methoxy]-1-phenylpyrazole
SMILESFc1ccc(COc2cnn(-c3ccccc3)c2)cc1
InChIInChI=1S/C16H13FN2O/c17-14-8-6-13(7-9-14)12-20-16-10-18-19(11-16)15-4-2-1-3-5-15/h1-11H,12H2
InChIKeyMHOROOASNVDRKI-UHFFFAOYSA-N
XLogP3.59
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 117234052
1-fluoro-4-(phenoxymethyl)benzene
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CID 116804941
4-[(4-chlorophenoxy)methyl]-1-phenylpyrazole
CID 60710740
4-[(4-methylphenoxy)methyl]-1-phenylpyrazole
CID 60710496
4-[(4-bromophenoxy)methyl]-1-phenylpyrazole
CID 43090504
2-[1-(4-fluorophenyl)pyrazol-4-yl]oxy-N-methylethanamine
CID 117230526
1-(4-fluorophenyl)-4-methoxypyrazole
CID 117229730
2-[(1-phenylpyrazol-4-yl)methoxy]phenol
CID 43332182
1-methyl-4-phenylmethoxypyrazole
CID 84661432
N'-[2-(4-fluorophenoxy)acetyl]-3-(1-phenylpyrazol-4-yl)propanehydrazide
CID 26782133
1-(4-fluorophenyl)-4-(2-methoxyphenoxy)pyrazole
CID 117229286

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methoxy]-1-phenylpyrazole?
The IUPAC name of 4-[(4-fluorophenyl)methoxy]-1-phenylpyrazole (CID 117234072) is 4-[(4-fluorophenyl)methoxy]-1-phenylpyrazole.
What is the SMILES notation for 4-[(4-fluorophenyl)methoxy]-1-phenylpyrazole?
The canonical SMILES for 4-[(4-fluorophenyl)methoxy]-1-phenylpyrazole is Fc1ccc(COc2cnn(-c3ccccc3)c2)cc1.
What is the InChIKey of 4-[(4-fluorophenyl)methoxy]-1-phenylpyrazole?
The InChIKey is MHOROOASNVDRKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O/c17-14-8-6-13(7-9-14)12-20-16-10-18-19(11-16)15-4-2-1-3-5-15/h1-11H,12H2.
What are the key properties of 4-[(4-fluorophenyl)methoxy]-1-phenylpyrazole?
4-[(4-fluorophenyl)methoxy]-1-phenylpyrazole has a molecular weight of 268.29 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methoxy]-1-phenylpyrazole is sourced from PubChem (CID 117234072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).