1-(3-fluorophenyl)-5-(methoxymethyl)-3-methylpyrazole

C12H13FN2O — CID 141307736

IUPAC1-(3-fluorophenyl)-5-(methoxymethyl)-3-methylpyrazole
SMILESCOCc1cc(C)nn1-c1cccc(F)c1
InChIInChI=1S/C12H13FN2O/c1-9-6-12(8-16-2)15(14-9)11-5-3-4-10(13)7-11/h3-7H,8H2,1-2H3
InChIKeyQYEQPHSQKVCDIA-UHFFFAOYSA-N
MW220.25 g/mol
LogP2.47
Rot. Bonds3

About 1-(3-fluorophenyl)-5-(methoxymethyl)-3-methylpyrazole

1-(3-fluorophenyl)-5-(methoxymethyl)-3-methylpyrazole (PubChem CID 141307736) has the molecular formula C12H13FN2O and a molecular weight of 220.25 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-5-(methoxymethyl)-3-methylpyrazole.

Molecular Properties

Compound Name1-(3-fluorophenyl)-5-(methoxymethyl)-3-methylpyrazole
PubChem CID141307736
Molecular FormulaC12H13FN2O
Molecular Weight220.25 g/mol
Exact Mass220.10
IUPAC Name1-(3-fluorophenyl)-5-(methoxymethyl)-3-methylpyrazole
SMILESCOCc1cc(C)nn1-c1cccc(F)c1
InChIInChI=1S/C12H13FN2O/c1-9-6-12(8-16-2)15(14-9)11-5-3-4-10(13)7-11/h3-7H,8H2,1-2H3
InChIKeyQYEQPHSQKVCDIA-UHFFFAOYSA-N
XLogP2.47
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 ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-5-(methoxymethyl)-3-methylpyrazole?
The IUPAC name of 1-(3-fluorophenyl)-5-(methoxymethyl)-3-methylpyrazole (CID 141307736) is 1-(3-fluorophenyl)-5-(methoxymethyl)-3-methylpyrazole.
What is the SMILES notation for 1-(3-fluorophenyl)-5-(methoxymethyl)-3-methylpyrazole?
The canonical SMILES for 1-(3-fluorophenyl)-5-(methoxymethyl)-3-methylpyrazole is COCc1cc(C)nn1-c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-5-(methoxymethyl)-3-methylpyrazole?
The InChIKey is QYEQPHSQKVCDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O/c1-9-6-12(8-16-2)15(14-9)11-5-3-4-10(13)7-11/h3-7H,8H2,1-2H3.
What are the key properties of 1-(3-fluorophenyl)-5-(methoxymethyl)-3-methylpyrazole?
1-(3-fluorophenyl)-5-(methoxymethyl)-3-methylpyrazole has a molecular weight of 220.25 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-5-(methoxymethyl)-3-methylpyrazole is sourced from PubChem (CID 141307736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).