4-(5-ethyl-2,3-dimethylphenyl)-1-methylpyrazol-5-amine

C14H19N3 — CID 117331158

IUPAC4-(5-ethyl-2,3-dimethylphenyl)-1-methylpyrazol-5-amine
SMILESCCc1cc(C)c(C)c(-c2cnn(C)c2N)c1
InChIInChI=1S/C14H19N3/c1-5-11-6-9(2)10(3)12(7-11)13-8-16-17(4)14(13)15/h6-8H,5,15H2,1-4H3
InChIKeyLCJLLOTUDUVWEP-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.85
Rot. Bonds2

About 4-(5-ethyl-2,3-dimethylphenyl)-1-methylpyrazol-5-amine

4-(5-ethyl-2,3-dimethylphenyl)-1-methylpyrazol-5-amine (PubChem CID 117331158) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 4-(5-ethyl-2,3-dimethylphenyl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-(5-ethyl-2,3-dimethylphenyl)-1-methylpyrazol-5-amine
PubChem CID117331158
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name4-(5-ethyl-2,3-dimethylphenyl)-1-methylpyrazol-5-amine
SMILESCCc1cc(C)c(C)c(-c2cnn(C)c2N)c1
InChIInChI=1S/C14H19N3/c1-5-11-6-9(2)10(3)12(7-11)13-8-16-17(4)14(13)15/h6-8H,5,15H2,1-4H3
InChIKeyLCJLLOTUDUVWEP-UHFFFAOYSA-N
XLogP2.85
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-amino-1-methylpyrazol-4-yl)-6-bromo-4-ethylphenol
CID 117477176
4-(3-bromo-5-ethyl-2-fluorophenyl)-1-methylpyrazol-5-amine
CID 117479931
4-(5-ethyl-3-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117375989
4-(5-ethyl-2-propan-2-ylphenyl)-1-methylpyrazol-5-amine
CID 117360841
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-amino-1-methylpyrazol-4-yl)-2-ethyl-5-methylphenol
CID 117334699
4-(5-ethyl-4-fluoro-2-methylphenyl)-1-methylpyrazol-5-amine
CID 117338339
4-(2,3-dimethoxy-5,6-dimethylphenyl)-1-methylpyrazol-5-amine
CID 117407767
4-(4-ethyl-3-methylphenyl)-1-methylpyrazol-5-amine
CID 117307110
2-(5-amino-1-methylpyrazol-4-yl)-4,5-dimethylphenol
CID 117309642
4-(2-fluoro-4,5-dimethylphenyl)-1-methylpyrazol-5-amine
CID 117312373

Frequently Asked Questions

What is the IUPAC name of 4-(5-ethyl-2,3-dimethylphenyl)-1-methylpyrazol-5-amine?
The IUPAC name of 4-(5-ethyl-2,3-dimethylphenyl)-1-methylpyrazol-5-amine (CID 117331158) is 4-(5-ethyl-2,3-dimethylphenyl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-(5-ethyl-2,3-dimethylphenyl)-1-methylpyrazol-5-amine?
The canonical SMILES for 4-(5-ethyl-2,3-dimethylphenyl)-1-methylpyrazol-5-amine is CCc1cc(C)c(C)c(-c2cnn(C)c2N)c1.
What is the InChIKey of 4-(5-ethyl-2,3-dimethylphenyl)-1-methylpyrazol-5-amine?
The InChIKey is LCJLLOTUDUVWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-5-11-6-9(2)10(3)12(7-11)13-8-16-17(4)14(13)15/h6-8H,5,15H2,1-4H3.
What are the key properties of 4-(5-ethyl-2,3-dimethylphenyl)-1-methylpyrazol-5-amine?
4-(5-ethyl-2,3-dimethylphenyl)-1-methylpyrazol-5-amine has a molecular weight of 229.33 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-ethyl-2,3-dimethylphenyl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 117331158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).