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

C14H19N3S — CID 66011333

IUPAC5-(2,4-dimethylphenyl)sulfanyl-1-ethyl-3-methylpyrazol-4-amine
SMILESCCn1nc(C)c(N)c1Sc1ccc(C)cc1C
InChIInChI=1S/C14H19N3S/c1-5-17-14(13(15)11(4)16-17)18-12-7-6-9(2)8-10(12)3/h6-8H,5,15H2,1-4H3
InChIKeyWXYRQZGQCWVROB-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.56
Rot. Bonds3

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

5-(2,4-dimethylphenyl)sulfanyl-1-ethyl-3-methylpyrazol-4-amine (PubChem CID 66011333) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is 5-(2,4-dimethylphenyl)sulfanyl-1-ethyl-3-methylpyrazol-4-amine.

Molecular Properties

Compound Name5-(2,4-dimethylphenyl)sulfanyl-1-ethyl-3-methylpyrazol-4-amine
PubChem CID66011333
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC Name5-(2,4-dimethylphenyl)sulfanyl-1-ethyl-3-methylpyrazol-4-amine
SMILESCCn1nc(C)c(N)c1Sc1ccc(C)cc1C
InChIInChI=1S/C14H19N3S/c1-5-17-14(13(15)11(4)16-17)18-12-7-6-9(2)8-10(12)3/h6-8H,5,15H2,1-4H3
InChIKeyWXYRQZGQCWVROB-UHFFFAOYSA-N
XLogP3.56
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethylphenyl)sulfanyl-1-ethyl-3-methylpyrazol-4-amine?
The IUPAC name of 5-(2,4-dimethylphenyl)sulfanyl-1-ethyl-3-methylpyrazol-4-amine (CID 66011333) is 5-(2,4-dimethylphenyl)sulfanyl-1-ethyl-3-methylpyrazol-4-amine.
What is the SMILES notation for 5-(2,4-dimethylphenyl)sulfanyl-1-ethyl-3-methylpyrazol-4-amine?
The canonical SMILES for 5-(2,4-dimethylphenyl)sulfanyl-1-ethyl-3-methylpyrazol-4-amine is CCn1nc(C)c(N)c1Sc1ccc(C)cc1C.
What is the InChIKey of 5-(2,4-dimethylphenyl)sulfanyl-1-ethyl-3-methylpyrazol-4-amine?
The InChIKey is WXYRQZGQCWVROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-5-17-14(13(15)11(4)16-17)18-12-7-6-9(2)8-10(12)3/h6-8H,5,15H2,1-4H3.
What are the key properties of 5-(2,4-dimethylphenyl)sulfanyl-1-ethyl-3-methylpyrazol-4-amine?
5-(2,4-dimethylphenyl)sulfanyl-1-ethyl-3-methylpyrazol-4-amine has a molecular weight of 261.39 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dimethylphenyl)sulfanyl-1-ethyl-3-methylpyrazol-4-amine is sourced from PubChem (CID 66011333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).