5-(3-fluoro-4-methylphenyl)-1,3-dimethylpyrazole

C12H13FN2 — CID 155276309

IUPAC5-(3-fluoro-4-methylphenyl)-1,3-dimethylpyrazole
SMILESCc1cc(-c2ccc(C)c(F)c2)n(C)n1
InChIInChI=1S/C12H13FN2/c1-8-4-5-10(7-11(8)13)12-6-9(2)14-15(12)3/h4-7H,1-3H3
InChIKeyVUAPAFBIINZMCE-UHFFFAOYSA-N
MW204.25 g/mol
LogP2.84
Rot. Bonds1

About 5-(3-fluoro-4-methylphenyl)-1,3-dimethylpyrazole

5-(3-fluoro-4-methylphenyl)-1,3-dimethylpyrazole (PubChem CID 155276309) has the molecular formula C12H13FN2 and a molecular weight of 204.25 g/mol. Its IUPAC name is 5-(3-fluoro-4-methylphenyl)-1,3-dimethylpyrazole.

Molecular Properties

Compound Name5-(3-fluoro-4-methylphenyl)-1,3-dimethylpyrazole
PubChem CID155276309
Molecular FormulaC12H13FN2
Molecular Weight204.25 g/mol
Exact Mass204.11
IUPAC Name5-(3-fluoro-4-methylphenyl)-1,3-dimethylpyrazole
SMILESCc1cc(-c2ccc(C)c(F)c2)n(C)n1
InChIInChI=1S/C12H13FN2/c1-8-4-5-10(7-11(8)13)12-6-9(2)14-15(12)3/h4-7H,1-3H3
InChIKeyVUAPAFBIINZMCE-UHFFFAOYSA-N
XLogP2.84
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2,6-difluorophenyl)-1,3-dimethylpyrazole
CID 66614304
5-(4-tert-butylphenyl)-1,3-dimethylpyrazole
CID 116856714
5-(4-fluoro-3-methylphenyl)-1-methylpyrazol-3-amine
CID 82470102
2-[5-(4-fluoro-3-methylphenyl)-1-methylpyrazol-3-yl]ethanamine
CID 82129028
5-(3-bromophenyl)-1,3-dimethylpyrazole
CID 116856814
4-(3-fluoro-4-methylphenyl)-1,5-dimethylpyrazole
CID 121385904
5-(3-methoxyphenyl)-1,3-dimethylpyrazole
CID 57246578
2-fluoro-1-methyl-4-[4-(4-methylphenyl)phenyl]benzene
CID 22899602
5-(2,5-dimethylpyrazol-3-yl)-3H-1,3-benzoxazol-2-one
CID 116856803
5-(3,4-difluorophenyl)-1-methylpyrazole-3-carboxylic acid
CID 71292511
5-chloro-2-(2,5-dimethylpyrazol-3-yl)pyridine
CID 167062904
1,3-dimethyl-5-(3-methylthiophen-2-yl)pyrazole
CID 116856837

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-4-methylphenyl)-1,3-dimethylpyrazole?
The IUPAC name of 5-(3-fluoro-4-methylphenyl)-1,3-dimethylpyrazole (CID 155276309) is 5-(3-fluoro-4-methylphenyl)-1,3-dimethylpyrazole.
What is the SMILES notation for 5-(3-fluoro-4-methylphenyl)-1,3-dimethylpyrazole?
The canonical SMILES for 5-(3-fluoro-4-methylphenyl)-1,3-dimethylpyrazole is Cc1cc(-c2ccc(C)c(F)c2)n(C)n1.
What is the InChIKey of 5-(3-fluoro-4-methylphenyl)-1,3-dimethylpyrazole?
The InChIKey is VUAPAFBIINZMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2/c1-8-4-5-10(7-11(8)13)12-6-9(2)14-15(12)3/h4-7H,1-3H3.
What are the key properties of 5-(3-fluoro-4-methylphenyl)-1,3-dimethylpyrazole?
5-(3-fluoro-4-methylphenyl)-1,3-dimethylpyrazole has a molecular weight of 204.25 g/mol, XLogP of 2.84, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-4-methylphenyl)-1,3-dimethylpyrazole is sourced from PubChem (CID 155276309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).