3-(4-methoxythiophen-2-yl)-1-methylpyrazol-5-amine

C9H11N3OS — CID 81122439

IUPAC3-(4-methoxythiophen-2-yl)-1-methylpyrazol-5-amine
SMILESCOc1csc(-c2cc(N)n(C)n2)c1
InChIInChI=1S/C9H11N3OS/c1-12-9(10)4-7(11-12)8-3-6(13-2)5-14-8/h3-5H,10H2,1-2H3
InChIKeyBFIQIVJASLVJQE-UHFFFAOYSA-N
MW209.27 g/mol
LogP1.74
Rot. Bonds2

About 3-(4-methoxythiophen-2-yl)-1-methylpyrazol-5-amine

3-(4-methoxythiophen-2-yl)-1-methylpyrazol-5-amine (PubChem CID 81122439) has the molecular formula C9H11N3OS and a molecular weight of 209.27 g/mol. Its IUPAC name is 3-(4-methoxythiophen-2-yl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name3-(4-methoxythiophen-2-yl)-1-methylpyrazol-5-amine
PubChem CID81122439
Molecular FormulaC9H11N3OS
Molecular Weight209.27 g/mol
Exact Mass209.06
IUPAC Name3-(4-methoxythiophen-2-yl)-1-methylpyrazol-5-amine
SMILESCOc1csc(-c2cc(N)n(C)n2)c1
InChIInChI=1S/C9H11N3OS/c1-12-9(10)4-7(11-12)8-3-6(13-2)5-14-8/h3-5H,10H2,1-2H3
InChIKeyBFIQIVJASLVJQE-UHFFFAOYSA-N
XLogP1.74
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxythiophen-2-yl)-1-methylpyrazol-5-amine?
The IUPAC name of 3-(4-methoxythiophen-2-yl)-1-methylpyrazol-5-amine (CID 81122439) is 3-(4-methoxythiophen-2-yl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 3-(4-methoxythiophen-2-yl)-1-methylpyrazol-5-amine?
The canonical SMILES for 3-(4-methoxythiophen-2-yl)-1-methylpyrazol-5-amine is COc1csc(-c2cc(N)n(C)n2)c1.
What is the InChIKey of 3-(4-methoxythiophen-2-yl)-1-methylpyrazol-5-amine?
The InChIKey is BFIQIVJASLVJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3OS/c1-12-9(10)4-7(11-12)8-3-6(13-2)5-14-8/h3-5H,10H2,1-2H3.
What are the key properties of 3-(4-methoxythiophen-2-yl)-1-methylpyrazol-5-amine?
3-(4-methoxythiophen-2-yl)-1-methylpyrazol-5-amine has a molecular weight of 209.27 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxythiophen-2-yl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 81122439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).