1-methyl-3-(thiophen-2-ylmethoxy)pyrazol-4-amine

C9H11N3OS — CID 103079146

IUPAC1-methyl-3-(thiophen-2-ylmethoxy)pyrazol-4-amine
SMILESCn1cc(N)c(OCc2cccs2)n1
InChIInChI=1S/C9H11N3OS/c1-12-5-8(10)9(11-12)13-6-7-3-2-4-14-7/h2-5H,6,10H2,1H3
InChIKeyXYMZPVBWLJVDFI-UHFFFAOYSA-N
MW209.27 g/mol
LogP1.64
Rot. Bonds3

About 1-methyl-3-(thiophen-2-ylmethoxy)pyrazol-4-amine

1-methyl-3-(thiophen-2-ylmethoxy)pyrazol-4-amine (PubChem CID 103079146) has the molecular formula C9H11N3OS and a molecular weight of 209.27 g/mol. Its IUPAC name is 1-methyl-3-(thiophen-2-ylmethoxy)pyrazol-4-amine.

Molecular Properties

Compound Name1-methyl-3-(thiophen-2-ylmethoxy)pyrazol-4-amine
PubChem CID103079146
Molecular FormulaC9H11N3OS
Molecular Weight209.27 g/mol
Exact Mass209.06
IUPAC Name1-methyl-3-(thiophen-2-ylmethoxy)pyrazol-4-amine
SMILESCn1cc(N)c(OCc2cccs2)n1
InChIInChI=1S/C9H11N3OS/c1-12-5-8(10)9(11-12)13-6-7-3-2-4-14-7/h2-5H,6,10H2,1H3
InChIKeyXYMZPVBWLJVDFI-UHFFFAOYSA-N
XLogP1.64
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(thiophen-2-ylmethoxy)pyrazol-4-amine?
The IUPAC name of 1-methyl-3-(thiophen-2-ylmethoxy)pyrazol-4-amine (CID 103079146) is 1-methyl-3-(thiophen-2-ylmethoxy)pyrazol-4-amine.
What is the SMILES notation for 1-methyl-3-(thiophen-2-ylmethoxy)pyrazol-4-amine?
The canonical SMILES for 1-methyl-3-(thiophen-2-ylmethoxy)pyrazol-4-amine is Cn1cc(N)c(OCc2cccs2)n1.
What is the InChIKey of 1-methyl-3-(thiophen-2-ylmethoxy)pyrazol-4-amine?
The InChIKey is XYMZPVBWLJVDFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3OS/c1-12-5-8(10)9(11-12)13-6-7-3-2-4-14-7/h2-5H,6,10H2,1H3.
What are the key properties of 1-methyl-3-(thiophen-2-ylmethoxy)pyrazol-4-amine?
1-methyl-3-(thiophen-2-ylmethoxy)pyrazol-4-amine has a molecular weight of 209.27 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(thiophen-2-ylmethoxy)pyrazol-4-amine is sourced from PubChem (CID 103079146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).