4-ethoxy-1-(4-fluoro-3-methoxyphenyl)pyrazole

C12H13FN2O2 — CID 141324032

IUPAC4-ethoxy-1-(4-fluoro-3-methoxyphenyl)pyrazole
SMILESCCOc1cnn(-c2ccc(F)c(OC)c2)c1
InChIInChI=1S/C12H13FN2O2/c1-3-17-10-7-14-15(8-10)9-4-5-11(13)12(6-9)16-2/h4-8H,3H2,1-2H3
InChIKeyQAGLMBWCOFMVTF-UHFFFAOYSA-N
MW236.25 g/mol
LogP2.42
Rot. Bonds4

About 4-ethoxy-1-(4-fluoro-3-methoxyphenyl)pyrazole

4-ethoxy-1-(4-fluoro-3-methoxyphenyl)pyrazole (PubChem CID 141324032) has the molecular formula C12H13FN2O2 and a molecular weight of 236.25 g/mol. Its IUPAC name is 4-ethoxy-1-(4-fluoro-3-methoxyphenyl)pyrazole.

Molecular Properties

Compound Name4-ethoxy-1-(4-fluoro-3-methoxyphenyl)pyrazole
PubChem CID141324032
Molecular FormulaC12H13FN2O2
Molecular Weight236.25 g/mol
Exact Mass236.10
IUPAC Name4-ethoxy-1-(4-fluoro-3-methoxyphenyl)pyrazole
SMILESCCOc1cnn(-c2ccc(F)c(OC)c2)c1
InChIInChI=1S/C12H13FN2O2/c1-3-17-10-7-14-15(8-10)9-4-5-11(13)12(6-9)16-2/h4-8H,3H2,1-2H3
InChIKeyQAGLMBWCOFMVTF-UHFFFAOYSA-N
XLogP2.42
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-Methoxy-2-(1H-pyrazol-1-yl)phenyl]boronic acid
CID 45791109
1-(3-methoxyphenyl)-1H-pyrazole
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1-(4-methoxyphenyl)-1H-pyrazol-4-ol
CID 12901081
4-((1-methyl-1H-pyrazol-4-yl)oxy)aniline
CID 69194299
3-methoxy-5-(1H-pyrazol-1-yl)aniline
CID 80749408
1-(2-methoxyphenyl)-1H-pyrazol-4-ol
CID 117124800
1-[3-(3-Methylsulfonylpropoxy)phenyl]pyrazole
CID 72006695
1,4-Dimethoxy-2-(pyrazol-1-yl)benzene
CID 21593749
4-[(2-fluorophenoxy)methyl]-1-phenyl-1H-pyrazole
CID 801070
2-[(1-ethyl-1H-pyrazol-5-yl)methoxy]aniline
CID 50896804
4-Methoxy-2-pyrazol-1-ylphenol
CID 21593751
1-(2-methoxyphenyl)-1H-pyrazole
CID 11286747

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-1-(4-fluoro-3-methoxyphenyl)pyrazole?
The IUPAC name of 4-ethoxy-1-(4-fluoro-3-methoxyphenyl)pyrazole (CID 141324032) is 4-ethoxy-1-(4-fluoro-3-methoxyphenyl)pyrazole.
What is the SMILES notation for 4-ethoxy-1-(4-fluoro-3-methoxyphenyl)pyrazole?
The canonical SMILES for 4-ethoxy-1-(4-fluoro-3-methoxyphenyl)pyrazole is CCOc1cnn(-c2ccc(F)c(OC)c2)c1.
What is the InChIKey of 4-ethoxy-1-(4-fluoro-3-methoxyphenyl)pyrazole?
The InChIKey is QAGLMBWCOFMVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O2/c1-3-17-10-7-14-15(8-10)9-4-5-11(13)12(6-9)16-2/h4-8H,3H2,1-2H3.
What are the key properties of 4-ethoxy-1-(4-fluoro-3-methoxyphenyl)pyrazole?
4-ethoxy-1-(4-fluoro-3-methoxyphenyl)pyrazole has a molecular weight of 236.25 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-1-(4-fluoro-3-methoxyphenyl)pyrazole is sourced from PubChem (CID 141324032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).