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

C15H16N4S — CID 80521721

IUPAC3-(5-ethylthiophen-2-yl)-1-methyl-4-pyridin-2-ylpyrazol-5-amine
SMILESCCc1ccc(-c2nn(C)c(N)c2-c2ccccn2)s1
InChIInChI=1S/C15H16N4S/c1-3-10-7-8-12(20-10)14-13(15(16)19(2)18-14)11-6-4-5-9-17-11/h4-9H,3,16H2,1-2H3
InChIKeyMVYAVVKXOGPPNJ-UHFFFAOYSA-N
MW284.39 g/mol
LogP3.36
Rot. Bonds3

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

3-(5-ethylthiophen-2-yl)-1-methyl-4-pyridin-2-ylpyrazol-5-amine (PubChem CID 80521721) has the molecular formula C15H16N4S and a molecular weight of 284.39 g/mol. Its IUPAC name is 3-(5-ethylthiophen-2-yl)-1-methyl-4-pyridin-2-ylpyrazol-5-amine.

Molecular Properties

Compound Name3-(5-ethylthiophen-2-yl)-1-methyl-4-pyridin-2-ylpyrazol-5-amine
PubChem CID80521721
Molecular FormulaC15H16N4S
Molecular Weight284.39 g/mol
Exact Mass284.11
IUPAC Name3-(5-ethylthiophen-2-yl)-1-methyl-4-pyridin-2-ylpyrazol-5-amine
SMILESCCc1ccc(-c2nn(C)c(N)c2-c2ccccn2)s1
InChIInChI=1S/C15H16N4S/c1-3-10-7-8-12(20-10)14-13(15(16)19(2)18-14)11-6-4-5-9-17-11/h4-9H,3,16H2,1-2H3
InChIKeyMVYAVVKXOGPPNJ-UHFFFAOYSA-N
XLogP3.36
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(5-ethylthiophen-2-yl)-1-methyl-4-pyridin-2-ylpyrazol-5-amine?
The IUPAC name of 3-(5-ethylthiophen-2-yl)-1-methyl-4-pyridin-2-ylpyrazol-5-amine (CID 80521721) is 3-(5-ethylthiophen-2-yl)-1-methyl-4-pyridin-2-ylpyrazol-5-amine.
What is the SMILES notation for 3-(5-ethylthiophen-2-yl)-1-methyl-4-pyridin-2-ylpyrazol-5-amine?
The canonical SMILES for 3-(5-ethylthiophen-2-yl)-1-methyl-4-pyridin-2-ylpyrazol-5-amine is CCc1ccc(-c2nn(C)c(N)c2-c2ccccn2)s1.
What is the InChIKey of 3-(5-ethylthiophen-2-yl)-1-methyl-4-pyridin-2-ylpyrazol-5-amine?
The InChIKey is MVYAVVKXOGPPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4S/c1-3-10-7-8-12(20-10)14-13(15(16)19(2)18-14)11-6-4-5-9-17-11/h4-9H,3,16H2,1-2H3.
What are the key properties of 3-(5-ethylthiophen-2-yl)-1-methyl-4-pyridin-2-ylpyrazol-5-amine?
3-(5-ethylthiophen-2-yl)-1-methyl-4-pyridin-2-ylpyrazol-5-amine has a molecular weight of 284.39 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethylthiophen-2-yl)-1-methyl-4-pyridin-2-ylpyrazol-5-amine is sourced from PubChem (CID 80521721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).