1-(2,4-dimethylphenyl)-3-(3-methylthiophen-2-yl)pyrazol-4-amine

C16H17N3S — CID 83216126

IUPAC1-(2,4-dimethylphenyl)-3-(3-methylthiophen-2-yl)pyrazol-4-amine
SMILESCc1ccc(-n2cc(N)c(-c3sccc3C)n2)c(C)c1
InChIInChI=1S/C16H17N3S/c1-10-4-5-14(12(3)8-10)19-9-13(17)15(18-19)16-11(2)6-7-20-16/h4-9H,17H2,1-3H3
InChIKeyHKXYJSACFGYIEB-UHFFFAOYSA-N
MW283.40 g/mol
LogP4.11
Rot. Bonds2

About 1-(2,4-dimethylphenyl)-3-(3-methylthiophen-2-yl)pyrazol-4-amine

1-(2,4-dimethylphenyl)-3-(3-methylthiophen-2-yl)pyrazol-4-amine (PubChem CID 83216126) has the molecular formula C16H17N3S and a molecular weight of 283.40 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-3-(3-methylthiophen-2-yl)pyrazol-4-amine.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-3-(3-methylthiophen-2-yl)pyrazol-4-amine
PubChem CID83216126
Molecular FormulaC16H17N3S
Molecular Weight283.40 g/mol
Exact Mass283.11
IUPAC Name1-(2,4-dimethylphenyl)-3-(3-methylthiophen-2-yl)pyrazol-4-amine
SMILESCc1ccc(-n2cc(N)c(-c3sccc3C)n2)c(C)c1
InChIInChI=1S/C16H17N3S/c1-10-4-5-14(12(3)8-10)19-9-13(17)15(18-19)16-11(2)6-7-20-16/h4-9H,17H2,1-3H3
InChIKeyHKXYJSACFGYIEB-UHFFFAOYSA-N
XLogP4.11
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-3-(3-methylthiophen-2-yl)pyrazol-4-amine?
The IUPAC name of 1-(2,4-dimethylphenyl)-3-(3-methylthiophen-2-yl)pyrazol-4-amine (CID 83216126) is 1-(2,4-dimethylphenyl)-3-(3-methylthiophen-2-yl)pyrazol-4-amine.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-3-(3-methylthiophen-2-yl)pyrazol-4-amine?
The canonical SMILES for 1-(2,4-dimethylphenyl)-3-(3-methylthiophen-2-yl)pyrazol-4-amine is Cc1ccc(-n2cc(N)c(-c3sccc3C)n2)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-3-(3-methylthiophen-2-yl)pyrazol-4-amine?
The InChIKey is HKXYJSACFGYIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3S/c1-10-4-5-14(12(3)8-10)19-9-13(17)15(18-19)16-11(2)6-7-20-16/h4-9H,17H2,1-3H3.
What are the key properties of 1-(2,4-dimethylphenyl)-3-(3-methylthiophen-2-yl)pyrazol-4-amine?
1-(2,4-dimethylphenyl)-3-(3-methylthiophen-2-yl)pyrazol-4-amine has a molecular weight of 283.40 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-3-(3-methylthiophen-2-yl)pyrazol-4-amine is sourced from PubChem (CID 83216126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).