4-(5-ethyl-4-fluoro-2-methylphenyl)-1-methylpyrazol-5-amine

C13H16FN3 — CID 117338339

IUPAC4-(5-ethyl-4-fluoro-2-methylphenyl)-1-methylpyrazol-5-amine
SMILESCCc1cc(-c2cnn(C)c2N)c(C)cc1F
InChIInChI=1S/C13H16FN3/c1-4-9-6-10(8(2)5-12(9)14)11-7-16-17(3)13(11)15/h5-7H,4,15H2,1-3H3
InChIKeyVQAIBRJQCRVXBZ-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.68
Rot. Bonds2

About 4-(5-ethyl-4-fluoro-2-methylphenyl)-1-methylpyrazol-5-amine

4-(5-ethyl-4-fluoro-2-methylphenyl)-1-methylpyrazol-5-amine (PubChem CID 117338339) has the molecular formula C13H16FN3 and a molecular weight of 233.29 g/mol. Its IUPAC name is 4-(5-ethyl-4-fluoro-2-methylphenyl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-(5-ethyl-4-fluoro-2-methylphenyl)-1-methylpyrazol-5-amine
PubChem CID117338339
Molecular FormulaC13H16FN3
Molecular Weight233.29 g/mol
Exact Mass233.13
IUPAC Name4-(5-ethyl-4-fluoro-2-methylphenyl)-1-methylpyrazol-5-amine
SMILESCCc1cc(-c2cnn(C)c2N)c(C)cc1F
InChIInChI=1S/C13H16FN3/c1-4-9-6-10(8(2)5-12(9)14)11-7-16-17(3)13(11)15/h5-7H,4,15H2,1-3H3
InChIKeyVQAIBRJQCRVXBZ-UHFFFAOYSA-N
XLogP2.68
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-amino-1-methylpyrazol-4-yl)-2-ethyl-5-methylphenol
CID 117334699
4-(2-fluoro-4,5-dimethylphenyl)-1-methylpyrazol-5-amine
CID 117312373
4-(2,5-difluoro-4-methylphenyl)-1-methylpyrazol-5-amine
CID 117319250
4-(4-ethyl-3-methylphenyl)-1-methylpyrazol-5-amine
CID 117307110
4-(5-ethyl-2,3-dimethylphenyl)-1-methylpyrazol-5-amine
CID 117331158
4-(3,5-difluoro-2-methylphenyl)-1-methylpyrazol-5-amine
CID 117319251
4-[5-(fluoromethyl)-2-methylphenyl]-1-methylpyrazol-5-amine
CID 117312379
4-(5-ethyl-3-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117375989
4-(2-bromo-3-fluoro-5,6-dimethylphenyl)-1-methylpyrazol-5-amine
CID 117479935
4-(3-chloro-5-ethyl-2,4-dimethoxyphenyl)-1-methylpyrazol-5-amine
CID 117476513
4-ethyl-1-methylpyrazol-5-amine
CID 22456644
4-(5-amino-1-methylpyrazol-4-yl)-2-chloro-5-methylphenol
CID 117348200

Frequently Asked Questions

What is the IUPAC name of 4-(5-ethyl-4-fluoro-2-methylphenyl)-1-methylpyrazol-5-amine?
The IUPAC name of 4-(5-ethyl-4-fluoro-2-methylphenyl)-1-methylpyrazol-5-amine (CID 117338339) is 4-(5-ethyl-4-fluoro-2-methylphenyl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-(5-ethyl-4-fluoro-2-methylphenyl)-1-methylpyrazol-5-amine?
The canonical SMILES for 4-(5-ethyl-4-fluoro-2-methylphenyl)-1-methylpyrazol-5-amine is CCc1cc(-c2cnn(C)c2N)c(C)cc1F.
What is the InChIKey of 4-(5-ethyl-4-fluoro-2-methylphenyl)-1-methylpyrazol-5-amine?
The InChIKey is VQAIBRJQCRVXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3/c1-4-9-6-10(8(2)5-12(9)14)11-7-16-17(3)13(11)15/h5-7H,4,15H2,1-3H3.
What are the key properties of 4-(5-ethyl-4-fluoro-2-methylphenyl)-1-methylpyrazol-5-amine?
4-(5-ethyl-4-fluoro-2-methylphenyl)-1-methylpyrazol-5-amine has a molecular weight of 233.29 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-ethyl-4-fluoro-2-methylphenyl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 117338339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).