3-(4,5-dimethylthiophen-2-yl)-1-methyl-4-pyridin-2-ylpyrazol-5-amine

C15H16N4S — CID 80521046

IUPAC3-(4,5-dimethylthiophen-2-yl)-1-methyl-4-pyridin-2-ylpyrazol-5-amine
SMILESCc1cc(-c2nn(C)c(N)c2-c2ccccn2)sc1C
InChIInChI=1S/C15H16N4S/c1-9-8-12(20-10(9)2)14-13(15(16)19(3)18-14)11-6-4-5-7-17-11/h4-8H,16H2,1-3H3
InChIKeyAGDFJOYWPOERTJ-UHFFFAOYSA-N
MW284.39 g/mol
LogP3.41
Rot. Bonds2

About 3-(4,5-dimethylthiophen-2-yl)-1-methyl-4-pyridin-2-ylpyrazol-5-amine

3-(4,5-dimethylthiophen-2-yl)-1-methyl-4-pyridin-2-ylpyrazol-5-amine (PubChem CID 80521046) has the molecular formula C15H16N4S and a molecular weight of 284.39 g/mol. Its IUPAC name is 3-(4,5-dimethylthiophen-2-yl)-1-methyl-4-pyridin-2-ylpyrazol-5-amine.

Molecular Properties

Compound Name3-(4,5-dimethylthiophen-2-yl)-1-methyl-4-pyridin-2-ylpyrazol-5-amine
PubChem CID80521046
Molecular FormulaC15H16N4S
Molecular Weight284.39 g/mol
Exact Mass284.11
IUPAC Name3-(4,5-dimethylthiophen-2-yl)-1-methyl-4-pyridin-2-ylpyrazol-5-amine
SMILESCc1cc(-c2nn(C)c(N)c2-c2ccccn2)sc1C
InChIInChI=1S/C15H16N4S/c1-9-8-12(20-10(9)2)14-13(15(16)19(3)18-14)11-6-4-5-7-17-11/h4-8H,16H2,1-3H3
InChIKeyAGDFJOYWPOERTJ-UHFFFAOYSA-N
XLogP3.41
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dimethylthiophen-2-yl)-1-methyl-4-pyridin-2-ylpyrazol-5-amine?
The IUPAC name of 3-(4,5-dimethylthiophen-2-yl)-1-methyl-4-pyridin-2-ylpyrazol-5-amine (CID 80521046) is 3-(4,5-dimethylthiophen-2-yl)-1-methyl-4-pyridin-2-ylpyrazol-5-amine.
What is the SMILES notation for 3-(4,5-dimethylthiophen-2-yl)-1-methyl-4-pyridin-2-ylpyrazol-5-amine?
The canonical SMILES for 3-(4,5-dimethylthiophen-2-yl)-1-methyl-4-pyridin-2-ylpyrazol-5-amine is Cc1cc(-c2nn(C)c(N)c2-c2ccccn2)sc1C.
What is the InChIKey of 3-(4,5-dimethylthiophen-2-yl)-1-methyl-4-pyridin-2-ylpyrazol-5-amine?
The InChIKey is AGDFJOYWPOERTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4S/c1-9-8-12(20-10(9)2)14-13(15(16)19(3)18-14)11-6-4-5-7-17-11/h4-8H,16H2,1-3H3.
What are the key properties of 3-(4,5-dimethylthiophen-2-yl)-1-methyl-4-pyridin-2-ylpyrazol-5-amine?
3-(4,5-dimethylthiophen-2-yl)-1-methyl-4-pyridin-2-ylpyrazol-5-amine has a molecular weight of 284.39 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dimethylthiophen-2-yl)-1-methyl-4-pyridin-2-ylpyrazol-5-amine is sourced from PubChem (CID 80521046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).