1-methyl-4-nitroso-3-thiophen-2-ylpyrazol-5-amine

C8H8N4OS — CID 15731546

IUPAC1-methyl-4-nitroso-3-thiophen-2-ylpyrazol-5-amine
SMILESCn1nc(-c2cccs2)c(N=O)c1N
InChIInChI=1S/C8H8N4OS/c1-12-8(9)7(11-13)6(10-12)5-3-2-4-14-5/h2-4H,9H2,1H3
InChIKeyCQNZXZVHOFYVGE-UHFFFAOYSA-N
MW208.25 g/mol
LogP2.13
Rot. Bonds2

About 1-methyl-4-nitroso-3-thiophen-2-ylpyrazol-5-amine

1-methyl-4-nitroso-3-thiophen-2-ylpyrazol-5-amine (PubChem CID 15731546) has the molecular formula C8H8N4OS and a molecular weight of 208.25 g/mol. Its IUPAC name is 1-methyl-4-nitroso-3-thiophen-2-ylpyrazol-5-amine.

Molecular Properties

Compound Name1-methyl-4-nitroso-3-thiophen-2-ylpyrazol-5-amine
PubChem CID15731546
Molecular FormulaC8H8N4OS
Molecular Weight208.25 g/mol
Exact Mass208.04
IUPAC Name1-methyl-4-nitroso-3-thiophen-2-ylpyrazol-5-amine
SMILESCn1nc(-c2cccs2)c(N=O)c1N
InChIInChI=1S/C8H8N4OS/c1-12-8(9)7(11-13)6(10-12)5-3-2-4-14-5/h2-4H,9H2,1H3
InChIKeyCQNZXZVHOFYVGE-UHFFFAOYSA-N
XLogP2.13
TPSA73.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.25
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-nitroso-3-thiophen-2-ylpyrazol-5-amine?
The IUPAC name of 1-methyl-4-nitroso-3-thiophen-2-ylpyrazol-5-amine (CID 15731546) is 1-methyl-4-nitroso-3-thiophen-2-ylpyrazol-5-amine.
What is the SMILES notation for 1-methyl-4-nitroso-3-thiophen-2-ylpyrazol-5-amine?
The canonical SMILES for 1-methyl-4-nitroso-3-thiophen-2-ylpyrazol-5-amine is Cn1nc(-c2cccs2)c(N=O)c1N.
What is the InChIKey of 1-methyl-4-nitroso-3-thiophen-2-ylpyrazol-5-amine?
The InChIKey is CQNZXZVHOFYVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4OS/c1-12-8(9)7(11-13)6(10-12)5-3-2-4-14-5/h2-4H,9H2,1H3.
What are the key properties of 1-methyl-4-nitroso-3-thiophen-2-ylpyrazol-5-amine?
1-methyl-4-nitroso-3-thiophen-2-ylpyrazol-5-amine has a molecular weight of 208.25 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-nitroso-3-thiophen-2-ylpyrazol-5-amine is sourced from PubChem (CID 15731546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).