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

C14H14N4S — CID 80521660

IUPAC1-methyl-3-(4-methylthiophen-3-yl)-4-pyridin-2-ylpyrazol-5-amine
SMILESCc1cscc1-c1nn(C)c(N)c1-c1ccccn1
InChIInChI=1S/C14H14N4S/c1-9-7-19-8-10(9)13-12(14(15)18(2)17-13)11-5-3-4-6-16-11/h3-8H,15H2,1-2H3
InChIKeyIJONQBNRXWXLQK-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.10
Rot. Bonds2

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

1-methyl-3-(4-methylthiophen-3-yl)-4-pyridin-2-ylpyrazol-5-amine (PubChem CID 80521660) has the molecular formula C14H14N4S and a molecular weight of 270.36 g/mol. Its IUPAC name is 1-methyl-3-(4-methylthiophen-3-yl)-4-pyridin-2-ylpyrazol-5-amine.

Molecular Properties

Compound Name1-methyl-3-(4-methylthiophen-3-yl)-4-pyridin-2-ylpyrazol-5-amine
PubChem CID80521660
Molecular FormulaC14H14N4S
Molecular Weight270.36 g/mol
Exact Mass270.09
IUPAC Name1-methyl-3-(4-methylthiophen-3-yl)-4-pyridin-2-ylpyrazol-5-amine
SMILESCc1cscc1-c1nn(C)c(N)c1-c1ccccn1
InChIInChI=1S/C14H14N4S/c1-9-7-19-8-10(9)13-12(14(15)18(2)17-13)11-5-3-4-6-16-11/h3-8H,15H2,1-2H3
InChIKeyIJONQBNRXWXLQK-UHFFFAOYSA-N
XLogP3.10
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(4-methylthiophen-3-yl)-4-pyridin-2-ylpyrazol-5-amine?
The IUPAC name of 1-methyl-3-(4-methylthiophen-3-yl)-4-pyridin-2-ylpyrazol-5-amine (CID 80521660) is 1-methyl-3-(4-methylthiophen-3-yl)-4-pyridin-2-ylpyrazol-5-amine.
What is the SMILES notation for 1-methyl-3-(4-methylthiophen-3-yl)-4-pyridin-2-ylpyrazol-5-amine?
The canonical SMILES for 1-methyl-3-(4-methylthiophen-3-yl)-4-pyridin-2-ylpyrazol-5-amine is Cc1cscc1-c1nn(C)c(N)c1-c1ccccn1.
What is the InChIKey of 1-methyl-3-(4-methylthiophen-3-yl)-4-pyridin-2-ylpyrazol-5-amine?
The InChIKey is IJONQBNRXWXLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4S/c1-9-7-19-8-10(9)13-12(14(15)18(2)17-13)11-5-3-4-6-16-11/h3-8H,15H2,1-2H3.
What are the key properties of 1-methyl-3-(4-methylthiophen-3-yl)-4-pyridin-2-ylpyrazol-5-amine?
1-methyl-3-(4-methylthiophen-3-yl)-4-pyridin-2-ylpyrazol-5-amine has a molecular weight of 270.36 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(4-methylthiophen-3-yl)-4-pyridin-2-ylpyrazol-5-amine is sourced from PubChem (CID 80521660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).