1-[2-(4-fluorophenyl)-6-methoxyphenyl]pyrazole

C16H13FN2O — CID 102031811

IUPAC1-[2-(4-fluorophenyl)-6-methoxyphenyl]pyrazole
SMILESCOc1cccc(-c2ccc(F)cc2)c1-n1cccn1
InChIInChI=1S/C16H13FN2O/c1-20-15-5-2-4-14(12-6-8-13(17)9-7-12)16(15)19-11-3-10-18-19/h2-11H,1H3
InChIKeyCLVHNWJJDZHDJJ-UHFFFAOYSA-N
MW268.29 g/mol
LogP3.69
Rot. Bonds3

About 1-[2-(4-fluorophenyl)-6-methoxyphenyl]pyrazole

1-[2-(4-fluorophenyl)-6-methoxyphenyl]pyrazole (PubChem CID 102031811) has the molecular formula C16H13FN2O and a molecular weight of 268.29 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)-6-methoxyphenyl]pyrazole.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)-6-methoxyphenyl]pyrazole
PubChem CID102031811
Molecular FormulaC16H13FN2O
Molecular Weight268.29 g/mol
Exact Mass268.10
IUPAC Name1-[2-(4-fluorophenyl)-6-methoxyphenyl]pyrazole
SMILESCOc1cccc(-c2ccc(F)cc2)c1-n1cccn1
InChIInChI=1S/C16H13FN2O/c1-20-15-5-2-4-14(12-6-8-13(17)9-7-12)16(15)19-11-3-10-18-19/h2-11H,1H3
InChIKeyCLVHNWJJDZHDJJ-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

1-(2-methoxyphenyl)-4-((1-phenyl-1H-pyrazol-4-yl)methyl)piperazine
CID 17449900
3-(4-methoxyphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde oxime
CID 6894322
[4-(4-Methoxyphenyl)-1-phenylpyrazol-3-yl]methanol
CID 2512462
5-[1-(2-Methoxyphenyl)-3-(2,2,6,6-tetramethyloxan-4-yl)pyrazol-5-yl]-2-methylpyridine
CID 73293612
3-(4-methoxyphenyl)-1-phenyl-1H-pyrazole-4-carbonitrile
CID 880209
[3-(3-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methanol
CID 977051
[1-[5-fluoro-2-(1H-pyrazol-1-yl)benzyl]-3-(3-methoxybenzyl)-3-piperidinyl]methanol
CID 16187687
3-(3-fluorophenyl)-1-(4-methoxyphenyl)-4-(pyrrolidin-1-ylmethyl)-1H-pyrazole
CID 16189228
N-{[3-(3-fluorophenyl)-1-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-1-methoxy-2-butanamine
CID 16189801
2-[{[3-(3-fluorophenyl)-1-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}(methyl)amino]ethanol
CID 16192378
4-((3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl)methyl)-1-(2-fluorophenyl)-5-methyl-1H-pyrazole
CID 49862237
2-ethyl-4-{[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)-1H-pyrazol-4-yl]methyl}morpholine
CID 70728001

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)-6-methoxyphenyl]pyrazole?
The IUPAC name of 1-[2-(4-fluorophenyl)-6-methoxyphenyl]pyrazole (CID 102031811) is 1-[2-(4-fluorophenyl)-6-methoxyphenyl]pyrazole.
What is the SMILES notation for 1-[2-(4-fluorophenyl)-6-methoxyphenyl]pyrazole?
The canonical SMILES for 1-[2-(4-fluorophenyl)-6-methoxyphenyl]pyrazole is COc1cccc(-c2ccc(F)cc2)c1-n1cccn1.
What is the InChIKey of 1-[2-(4-fluorophenyl)-6-methoxyphenyl]pyrazole?
The InChIKey is CLVHNWJJDZHDJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O/c1-20-15-5-2-4-14(12-6-8-13(17)9-7-12)16(15)19-11-3-10-18-19/h2-11H,1H3.
What are the key properties of 1-[2-(4-fluorophenyl)-6-methoxyphenyl]pyrazole?
1-[2-(4-fluorophenyl)-6-methoxyphenyl]pyrazole 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 1-[2-(4-fluorophenyl)-6-methoxyphenyl]pyrazole is sourced from PubChem (CID 102031811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).