4-fluoro-3-(4-methoxyphenyl)-1-phenylpyrazole

C16H13FN2O — CID 122398732

IUPAC4-fluoro-3-(4-methoxyphenyl)-1-phenylpyrazole
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2F)cc1
InChIInChI=1S/C16H13FN2O/c1-20-14-9-7-12(8-10-14)16-15(17)11-19(18-16)13-5-3-2-4-6-13/h2-11H,1H3
InChIKeyQVICQWVCCRXDOQ-UHFFFAOYSA-N
MW268.29 g/mol
LogP3.69
Rot. Bonds3

About 4-fluoro-3-(4-methoxyphenyl)-1-phenylpyrazole

4-fluoro-3-(4-methoxyphenyl)-1-phenylpyrazole (PubChem CID 122398732) has the molecular formula C16H13FN2O and a molecular weight of 268.29 g/mol. Its IUPAC name is 4-fluoro-3-(4-methoxyphenyl)-1-phenylpyrazole.

Molecular Properties

Compound Name4-fluoro-3-(4-methoxyphenyl)-1-phenylpyrazole
PubChem CID122398732
Molecular FormulaC16H13FN2O
Molecular Weight268.29 g/mol
Exact Mass268.10
IUPAC Name4-fluoro-3-(4-methoxyphenyl)-1-phenylpyrazole
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2F)cc1
InChIInChI=1S/C16H13FN2O/c1-20-14-9-7-12(8-10-14)16-15(17)11-19(18-16)13-5-3-2-4-6-13/h2-11H,1H3
InChIKeyQVICQWVCCRXDOQ-UHFFFAOYSA-N
XLogP3.69
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-3-(4-methoxyphenyl)-1-phenylpyrazole
CID 67740433
1-(2-fluorophenyl)-N-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]ethanamine
CID 18227355
N-(2,5-difluorophenyl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 55344475
N-(2-fluoro-5-methylphenyl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 26881990
4-(3-methoxyphenyl)-1,3-diphenylpyrazole
CID 166447646
N-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-2-phenylethanamine
CID 4792477
[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-pyrrolidin-1-ylmethanone
CID 29200826
2-fluoro-N-[(Z)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzamide
CID 9236351
1-(2-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-amine
CID 83205397
N-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-1,1-diphenylmethanimine
CID 2488828
3-(4-methoxyphenyl)-4-[3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]-1-phenylpyrazole
CID 172717363
(E)-N-(4,6-dimethylpyrimidin-2-yl)-1-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methanimine
CID 21236377

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-(4-methoxyphenyl)-1-phenylpyrazole?
The IUPAC name of 4-fluoro-3-(4-methoxyphenyl)-1-phenylpyrazole (CID 122398732) is 4-fluoro-3-(4-methoxyphenyl)-1-phenylpyrazole.
What is the SMILES notation for 4-fluoro-3-(4-methoxyphenyl)-1-phenylpyrazole?
The canonical SMILES for 4-fluoro-3-(4-methoxyphenyl)-1-phenylpyrazole is COc1ccc(-c2nn(-c3ccccc3)cc2F)cc1.
What is the InChIKey of 4-fluoro-3-(4-methoxyphenyl)-1-phenylpyrazole?
The InChIKey is QVICQWVCCRXDOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O/c1-20-14-9-7-12(8-10-14)16-15(17)11-19(18-16)13-5-3-2-4-6-13/h2-11H,1H3.
What are the key properties of 4-fluoro-3-(4-methoxyphenyl)-1-phenylpyrazole?
4-fluoro-3-(4-methoxyphenyl)-1-phenylpyrazole has a molecular weight of 268.29 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-(4-methoxyphenyl)-1-phenylpyrazole is sourced from PubChem (CID 122398732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).