3-(2-chloro-5-fluoro-4-methylphenyl)-5-methyl-1H-pyrazole

C11H10ClFN2 — CID 116856670

IUPAC3-(2-chloro-5-fluoro-4-methylphenyl)-5-methyl-1H-pyrazole
SMILESCc1cc(-c2cc(F)c(C)cc2Cl)n[nH]1
InChIInChI=1S/C11H10ClFN2/c1-6-3-9(12)8(5-10(6)13)11-4-7(2)14-15-11/h3-5H,1-2H3,(H,14,15)
InChIKeyDMPLKIPXKKQYPH-UHFFFAOYSA-N
MW224.67 g/mol
LogP3.49
Rot. Bonds1

About 3-(2-chloro-5-fluoro-4-methylphenyl)-5-methyl-1H-pyrazole

3-(2-chloro-5-fluoro-4-methylphenyl)-5-methyl-1H-pyrazole (PubChem CID 116856670) has the molecular formula C11H10ClFN2 and a molecular weight of 224.67 g/mol. Its IUPAC name is 3-(2-chloro-5-fluoro-4-methylphenyl)-5-methyl-1H-pyrazole.

Molecular Properties

Compound Name3-(2-chloro-5-fluoro-4-methylphenyl)-5-methyl-1H-pyrazole
PubChem CID116856670
Molecular FormulaC11H10ClFN2
Molecular Weight224.67 g/mol
Exact Mass224.05
IUPAC Name3-(2-chloro-5-fluoro-4-methylphenyl)-5-methyl-1H-pyrazole
SMILESCc1cc(-c2cc(F)c(C)cc2Cl)n[nH]1
InChIInChI=1S/C11H10ClFN2/c1-6-3-9(12)8(5-10(6)13)11-4-7(2)14-15-11/h3-5H,1-2H3,(H,14,15)
InChIKeyDMPLKIPXKKQYPH-UHFFFAOYSA-N
XLogP3.49
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.67
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(2-chloro-5-fluoro-4-methylphenyl)-6-methyl-1H-pyrimidin-2-one
CID 116894823
3-(2-chloro-5-fluoro-4-methylphenyl)-5-methyl-1H-pyrazol-4-amine
CID 116826863
4-(2-chloro-5-fluoro-4-methylphenyl)-2,6-dimethylpyrimidine
CID 116897024
4-(2-chloro-5-fluoro-4-methylphenyl)-2-methyl-1,3-thiazole
CID 116967902
2-chloro-4-(2-chloro-5-fluoro-4-methylphenyl)-1,3-thiazole
CID 116968150
4-bromo-5-(2-chloro-5-fluoro-4-methylphenyl)-N,N-dimethyl-1H-pyrazol-3-amine
CID 116826113
3-chloro-4-(5-methyl-1H-pyrazol-3-yl)aniline
CID 82470506
2-chloro-6-(5-methyl-1H-pyrazol-3-yl)aniline
CID 91620127
6-(2-chloro-5-fluoro-4-methylphenyl)-N-methylpyridazin-3-amine
CID 116973165
3-(2,5-dimethylphenyl)-5-methyl-1H-pyrazole
CID 82111649
1-chloro-2,4-difluoro-5-methylbenzene
CID 58691509
[5-(2-chloro-5-fluoro-4-methylphenyl)-1H-imidazol-2-yl]methanethiol
CID 116879266

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-5-fluoro-4-methylphenyl)-5-methyl-1H-pyrazole?
The IUPAC name of 3-(2-chloro-5-fluoro-4-methylphenyl)-5-methyl-1H-pyrazole (CID 116856670) is 3-(2-chloro-5-fluoro-4-methylphenyl)-5-methyl-1H-pyrazole.
What is the SMILES notation for 3-(2-chloro-5-fluoro-4-methylphenyl)-5-methyl-1H-pyrazole?
The canonical SMILES for 3-(2-chloro-5-fluoro-4-methylphenyl)-5-methyl-1H-pyrazole is Cc1cc(-c2cc(F)c(C)cc2Cl)n[nH]1.
What is the InChIKey of 3-(2-chloro-5-fluoro-4-methylphenyl)-5-methyl-1H-pyrazole?
The InChIKey is DMPLKIPXKKQYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN2/c1-6-3-9(12)8(5-10(6)13)11-4-7(2)14-15-11/h3-5H,1-2H3,(H,14,15).
What are the key properties of 3-(2-chloro-5-fluoro-4-methylphenyl)-5-methyl-1H-pyrazole?
3-(2-chloro-5-fluoro-4-methylphenyl)-5-methyl-1H-pyrazole has a molecular weight of 224.67 g/mol, XLogP of 3.49, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-5-fluoro-4-methylphenyl)-5-methyl-1H-pyrazole is sourced from PubChem (CID 116856670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).