1-methyl-3-thiophen-2-ylpyrazole-4,5-diamine

C8H10N4S — CID 15731550

IUPAC1-methyl-3-thiophen-2-ylpyrazole-4,5-diamine
SMILESCn1nc(-c2cccs2)c(N)c1N
InChIInChI=1S/C8H10N4S/c1-12-8(10)6(9)7(11-12)5-3-2-4-13-5/h2-4H,9-10H2,1H3
InChIKeyZRNXYZIFJPNOIX-UHFFFAOYSA-N
MW194.26 g/mol
LogP1.31
Rot. Bonds1

About 1-methyl-3-thiophen-2-ylpyrazole-4,5-diamine

1-methyl-3-thiophen-2-ylpyrazole-4,5-diamine (PubChem CID 15731550) has the molecular formula C8H10N4S and a molecular weight of 194.26 g/mol. Its IUPAC name is 1-methyl-3-thiophen-2-ylpyrazole-4,5-diamine.

Molecular Properties

Compound Name1-methyl-3-thiophen-2-ylpyrazole-4,5-diamine
PubChem CID15731550
Molecular FormulaC8H10N4S
Molecular Weight194.26 g/mol
Exact Mass194.06
IUPAC Name1-methyl-3-thiophen-2-ylpyrazole-4,5-diamine
SMILESCn1nc(-c2cccs2)c(N)c1N
InChIInChI=1S/C8H10N4S/c1-12-8(10)6(9)7(11-12)5-3-2-4-13-5/h2-4H,9-10H2,1H3
InChIKeyZRNXYZIFJPNOIX-UHFFFAOYSA-N
XLogP1.31
TPSA69.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-thiophen-2-ylpyrazole-4,5-diamine?
The IUPAC name of 1-methyl-3-thiophen-2-ylpyrazole-4,5-diamine (CID 15731550) is 1-methyl-3-thiophen-2-ylpyrazole-4,5-diamine.
What is the SMILES notation for 1-methyl-3-thiophen-2-ylpyrazole-4,5-diamine?
The canonical SMILES for 1-methyl-3-thiophen-2-ylpyrazole-4,5-diamine is Cn1nc(-c2cccs2)c(N)c1N.
What is the InChIKey of 1-methyl-3-thiophen-2-ylpyrazole-4,5-diamine?
The InChIKey is ZRNXYZIFJPNOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4S/c1-12-8(10)6(9)7(11-12)5-3-2-4-13-5/h2-4H,9-10H2,1H3.
What are the key properties of 1-methyl-3-thiophen-2-ylpyrazole-4,5-diamine?
1-methyl-3-thiophen-2-ylpyrazole-4,5-diamine has a molecular weight of 194.26 g/mol, XLogP of 1.31, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-thiophen-2-ylpyrazole-4,5-diamine is sourced from PubChem (CID 15731550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).