5-(3-fluoro-4-methoxyphenyl)-1-methylpyrazole

C11H11FN2O — CID 116869104

IUPAC5-(3-fluoro-4-methoxyphenyl)-1-methylpyrazole
SMILESCOc1ccc(-c2ccnn2C)cc1F
InChIInChI=1S/C11H11FN2O/c1-14-10(5-6-13-14)8-3-4-11(15-2)9(12)7-8/h3-7H,1-2H3
InChIKeyAHJNXLJNFCYEJQ-UHFFFAOYSA-N
MW206.22 g/mol
LogP2.23
Rot. Bonds2

About 5-(3-fluoro-4-methoxyphenyl)-1-methylpyrazole

5-(3-fluoro-4-methoxyphenyl)-1-methylpyrazole (PubChem CID 116869104) has the molecular formula C11H11FN2O and a molecular weight of 206.22 g/mol. Its IUPAC name is 5-(3-fluoro-4-methoxyphenyl)-1-methylpyrazole.

Molecular Properties

Compound Name5-(3-fluoro-4-methoxyphenyl)-1-methylpyrazole
PubChem CID116869104
Molecular FormulaC11H11FN2O
Molecular Weight206.22 g/mol
Exact Mass206.09
IUPAC Name5-(3-fluoro-4-methoxyphenyl)-1-methylpyrazole
SMILESCOc1ccc(-c2ccnn2C)cc1F
InChIInChI=1S/C11H11FN2O/c1-14-10(5-6-13-14)8-3-4-11(15-2)9(12)7-8/h3-7H,1-2H3
InChIKeyAHJNXLJNFCYEJQ-UHFFFAOYSA-N
XLogP2.23
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-fluoro-4-(2-methylpyrazol-3-yl)benzoate
CID 135274935
1,2-difluoro-4-(3-fluoro-4-methoxyphenyl)benzene
CID 18930756
5-(3-fluoro-4-methoxyphenyl)-N,1-dimethylpyrazol-3-amine
CID 116827395
2-fluoro-4-(2-methylpyrazol-3-yl)benzoic acid
CID 63961568
5-(3-fluoro-4-methoxyphenyl)-1-methylpyrazole-3-carbonitrile
CID 116858619
2-(3-fluoro-4-methoxyphenyl)pyrimidine
CID 134263784
5-(3,4-dimethoxyphenyl)-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole
CID 53138515
5-(3,4-dichlorophenyl)-1-methylpyrazole
CID 71232464
1-methyl-5-(2,4,6-trimethoxyphenyl)pyrazole
CID 71521229
2-(3,4-difluorophenyl)-5,7-dimethoxy-8-(2-methylpyrazol-3-yl)chromen-4-one
CID 71559443
5-(4-chlorophenyl)-1-methylpyrazole
CID 12581093
4-(2-methylpyrazol-3-yl)benzene-1,2-diamine
CID 91618945

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-4-methoxyphenyl)-1-methylpyrazole?
The IUPAC name of 5-(3-fluoro-4-methoxyphenyl)-1-methylpyrazole (CID 116869104) is 5-(3-fluoro-4-methoxyphenyl)-1-methylpyrazole.
What is the SMILES notation for 5-(3-fluoro-4-methoxyphenyl)-1-methylpyrazole?
The canonical SMILES for 5-(3-fluoro-4-methoxyphenyl)-1-methylpyrazole is COc1ccc(-c2ccnn2C)cc1F.
What is the InChIKey of 5-(3-fluoro-4-methoxyphenyl)-1-methylpyrazole?
The InChIKey is AHJNXLJNFCYEJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O/c1-14-10(5-6-13-14)8-3-4-11(15-2)9(12)7-8/h3-7H,1-2H3.
What are the key properties of 5-(3-fluoro-4-methoxyphenyl)-1-methylpyrazole?
5-(3-fluoro-4-methoxyphenyl)-1-methylpyrazole has a molecular weight of 206.22 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-4-methoxyphenyl)-1-methylpyrazole is sourced from PubChem (CID 116869104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).