4-amino-2-(3-fluorophenyl)-5-(methoxymethyl)-1H-pyrazol-3-one

C11H12FN3O2 — CID 103995167

IUPAC4-amino-2-(3-fluorophenyl)-5-(methoxymethyl)-1H-pyrazol-3-one
SMILESCOCc1[nH]n(-c2cccc(F)c2)c(=O)c1N
InChIInChI=1S/C11H12FN3O2/c1-17-6-9-10(13)11(16)15(14-9)8-4-2-3-7(12)5-8/h2-5,14H,6,13H2,1H3
InChIKeyOMGXRXAERHSICM-UHFFFAOYSA-N
MW237.23 g/mol
LogP1.03
Rot. Bonds3

About 4-amino-2-(3-fluorophenyl)-5-(methoxymethyl)-1H-pyrazol-3-one

4-amino-2-(3-fluorophenyl)-5-(methoxymethyl)-1H-pyrazol-3-one (PubChem CID 103995167) has the molecular formula C11H12FN3O2 and a molecular weight of 237.23 g/mol. Its IUPAC name is 4-amino-2-(3-fluorophenyl)-5-(methoxymethyl)-1H-pyrazol-3-one.

Molecular Properties

Compound Name4-amino-2-(3-fluorophenyl)-5-(methoxymethyl)-1H-pyrazol-3-one
PubChem CID103995167
Molecular FormulaC11H12FN3O2
Molecular Weight237.23 g/mol
Exact Mass237.09
IUPAC Name4-amino-2-(3-fluorophenyl)-5-(methoxymethyl)-1H-pyrazol-3-one
SMILESCOCc1[nH]n(-c2cccc(F)c2)c(=O)c1N
InChIInChI=1S/C11H12FN3O2/c1-17-6-9-10(13)11(16)15(14-9)8-4-2-3-7(12)5-8/h2-5,14H,6,13H2,1H3
InChIKeyOMGXRXAERHSICM-UHFFFAOYSA-N
XLogP1.03
TPSA73.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.23
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-fluorophenyl)-5-(methoxymethyl)-1H-pyrazol-3-one
CID 66020883
2-(3-fluorophenyl)-4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-one
CID 66021501
4-amino-5-ethyl-2-(3,4,5-trifluorophenyl)-1H-pyrazol-3-one
CID 113363214
2-(3-fluorophenyl)-5-methyl-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-one
CID 105492392
2,5-bis(3-fluorophenyl)-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 66495077
2-(3-fluorophenyl)-4,6-dihydro-1H-thieno[3,4-c]pyrazol-3-one
CID 83195525
2-(3-fluorophenyl)-5-(methylaminomethyl)-1H-pyrazol-3-one
CID 83889917
4-amino-2-(3,5-dimethylphenyl)-5-ethyl-1H-pyrazol-3-one
CID 103995030
4-(aminomethyl)-5-ethyl-2-(3-hydroxyphenyl)-1H-pyrazol-3-one
CID 117123879
4-amino-2-(4-bromophenyl)-5-ethyl-1H-pyrazol-3-one
CID 103995200
1-(3-fluorophenyl)-2H-indazol-3-one
CID 122394958
2-(3-fluorophenyl)-3-oxo-1H-pyrazole-5-carbaldehyde
CID 83882653

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(3-fluorophenyl)-5-(methoxymethyl)-1H-pyrazol-3-one?
The IUPAC name of 4-amino-2-(3-fluorophenyl)-5-(methoxymethyl)-1H-pyrazol-3-one (CID 103995167) is 4-amino-2-(3-fluorophenyl)-5-(methoxymethyl)-1H-pyrazol-3-one.
What is the SMILES notation for 4-amino-2-(3-fluorophenyl)-5-(methoxymethyl)-1H-pyrazol-3-one?
The canonical SMILES for 4-amino-2-(3-fluorophenyl)-5-(methoxymethyl)-1H-pyrazol-3-one is COCc1[nH]n(-c2cccc(F)c2)c(=O)c1N.
What is the InChIKey of 4-amino-2-(3-fluorophenyl)-5-(methoxymethyl)-1H-pyrazol-3-one?
The InChIKey is OMGXRXAERHSICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O2/c1-17-6-9-10(13)11(16)15(14-9)8-4-2-3-7(12)5-8/h2-5,14H,6,13H2,1H3.
What are the key properties of 4-amino-2-(3-fluorophenyl)-5-(methoxymethyl)-1H-pyrazol-3-one?
4-amino-2-(3-fluorophenyl)-5-(methoxymethyl)-1H-pyrazol-3-one has a molecular weight of 237.23 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(3-fluorophenyl)-5-(methoxymethyl)-1H-pyrazol-3-one is sourced from PubChem (CID 103995167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).