4-ethoxy-1-(4-fluoro-2-methylphenyl)pyrazole

C12H13FN2O — CID 123321176

IUPAC4-ethoxy-1-(4-fluoro-2-methylphenyl)pyrazole
SMILESCCOc1cnn(-c2ccc(F)cc2C)c1
InChIInChI=1S/C12H13FN2O/c1-3-16-11-7-14-15(8-11)12-5-4-10(13)6-9(12)2/h4-8H,3H2,1-2H3
InChIKeyFMUVCBQIXILMBZ-UHFFFAOYSA-N
MW220.25 g/mol
LogP2.72
Rot. Bonds3

About 4-ethoxy-1-(4-fluoro-2-methylphenyl)pyrazole

4-ethoxy-1-(4-fluoro-2-methylphenyl)pyrazole (PubChem CID 123321176) has the molecular formula C12H13FN2O and a molecular weight of 220.25 g/mol. Its IUPAC name is 4-ethoxy-1-(4-fluoro-2-methylphenyl)pyrazole.

Molecular Properties

Compound Name4-ethoxy-1-(4-fluoro-2-methylphenyl)pyrazole
PubChem CID123321176
Molecular FormulaC12H13FN2O
Molecular Weight220.25 g/mol
Exact Mass220.10
IUPAC Name4-ethoxy-1-(4-fluoro-2-methylphenyl)pyrazole
SMILESCCOc1cnn(-c2ccc(F)cc2C)c1
InChIInChI=1S/C12H13FN2O/c1-3-16-11-7-14-15(8-11)12-5-4-10(13)6-9(12)2/h4-8H,3H2,1-2H3
InChIKeyFMUVCBQIXILMBZ-UHFFFAOYSA-N
XLogP2.72
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-ol
CID 2783031
(cyclopropylmethyl)(2-methoxyethyl){[1-(2-methylphenyl)-1H-pyrazol-4-yl]methyl}amine
CID 91765355
1-o-Tolyl-1H-pyrazol-4-ol
CID 12901078
1-(4-Methylphenyl)-1H-pyrazol-4-ol
CID 12901079
4-Methoxy-1-phenylpyrazole
CID 18622361
4-(2-Methylidenebutoxy)-1-[3-(trifluoromethyl)phenyl]pyrazole
CID 89128610
4-Ethoxy-1-(4-fluorophenyl)pyrazole
CID 89921873
3-Ethoxy-1-(4-fluoro-2-methylphenyl)pyrazole
CID 89921874
1-(4-Fluorophenyl)-4-propan-2-yloxypyrazole
CID 89921885
1-(3-Fluoro-2-methylphenyl)-4-methylpyrazole
CID 123244003
1-[3-[1-(4-Fluorophenyl)-3-propan-2-ylpyrazol-4-yl]oxypropyl]piperidine
CID 126749806
3-[1-(4-fluorophenyl)-3-propan-2-ylpyrazol-4-yl]oxy-N,N-dimethylpropan-1-amine
CID 126749811

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-1-(4-fluoro-2-methylphenyl)pyrazole?
The IUPAC name of 4-ethoxy-1-(4-fluoro-2-methylphenyl)pyrazole (CID 123321176) is 4-ethoxy-1-(4-fluoro-2-methylphenyl)pyrazole.
What is the SMILES notation for 4-ethoxy-1-(4-fluoro-2-methylphenyl)pyrazole?
The canonical SMILES for 4-ethoxy-1-(4-fluoro-2-methylphenyl)pyrazole is CCOc1cnn(-c2ccc(F)cc2C)c1.
What is the InChIKey of 4-ethoxy-1-(4-fluoro-2-methylphenyl)pyrazole?
The InChIKey is FMUVCBQIXILMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O/c1-3-16-11-7-14-15(8-11)12-5-4-10(13)6-9(12)2/h4-8H,3H2,1-2H3.
What are the key properties of 4-ethoxy-1-(4-fluoro-2-methylphenyl)pyrazole?
4-ethoxy-1-(4-fluoro-2-methylphenyl)pyrazole has a molecular weight of 220.25 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-1-(4-fluoro-2-methylphenyl)pyrazole is sourced from PubChem (CID 123321176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).