1-methyl-3-[2-(oxan-2-yl)ethyl]-4-thiophen-2-ylpyrazol-5-amine

C15H21N3OS — CID 63951751

IUPAC1-methyl-3-[2-(oxan-2-yl)ethyl]-4-thiophen-2-ylpyrazol-5-amine
SMILESCn1nc(CCC2CCCCO2)c(-c2cccs2)c1N
InChIInChI=1S/C15H21N3OS/c1-18-15(16)14(13-6-4-10-20-13)12(17-18)8-7-11-5-2-3-9-19-11/h4,6,10-11H,2-3,5,7-9,16H2,1H3
InChIKeyKTABFWLSDZPCHI-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.23
Rot. Bonds4

About 1-methyl-3-[2-(oxan-2-yl)ethyl]-4-thiophen-2-ylpyrazol-5-amine

1-methyl-3-[2-(oxan-2-yl)ethyl]-4-thiophen-2-ylpyrazol-5-amine (PubChem CID 63951751) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is 1-methyl-3-[2-(oxan-2-yl)ethyl]-4-thiophen-2-ylpyrazol-5-amine.

Molecular Properties

Compound Name1-methyl-3-[2-(oxan-2-yl)ethyl]-4-thiophen-2-ylpyrazol-5-amine
PubChem CID63951751
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC Name1-methyl-3-[2-(oxan-2-yl)ethyl]-4-thiophen-2-ylpyrazol-5-amine
SMILESCn1nc(CCC2CCCCO2)c(-c2cccs2)c1N
InChIInChI=1S/C15H21N3OS/c1-18-15(16)14(13-6-4-10-20-13)12(17-18)8-7-11-5-2-3-9-19-11/h4,6,10-11H,2-3,5,7-9,16H2,1H3
InChIKeyKTABFWLSDZPCHI-UHFFFAOYSA-N
XLogP3.23
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[2-(oxan-2-yl)ethyl]-4-thiophen-2-ylpyrazol-5-amine?
The IUPAC name of 1-methyl-3-[2-(oxan-2-yl)ethyl]-4-thiophen-2-ylpyrazol-5-amine (CID 63951751) is 1-methyl-3-[2-(oxan-2-yl)ethyl]-4-thiophen-2-ylpyrazol-5-amine.
What is the SMILES notation for 1-methyl-3-[2-(oxan-2-yl)ethyl]-4-thiophen-2-ylpyrazol-5-amine?
The canonical SMILES for 1-methyl-3-[2-(oxan-2-yl)ethyl]-4-thiophen-2-ylpyrazol-5-amine is Cn1nc(CCC2CCCCO2)c(-c2cccs2)c1N.
What is the InChIKey of 1-methyl-3-[2-(oxan-2-yl)ethyl]-4-thiophen-2-ylpyrazol-5-amine?
The InChIKey is KTABFWLSDZPCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-18-15(16)14(13-6-4-10-20-13)12(17-18)8-7-11-5-2-3-9-19-11/h4,6,10-11H,2-3,5,7-9,16H2,1H3.
What are the key properties of 1-methyl-3-[2-(oxan-2-yl)ethyl]-4-thiophen-2-ylpyrazol-5-amine?
1-methyl-3-[2-(oxan-2-yl)ethyl]-4-thiophen-2-ylpyrazol-5-amine has a molecular weight of 291.42 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[2-(oxan-2-yl)ethyl]-4-thiophen-2-ylpyrazol-5-amine is sourced from PubChem (CID 63951751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).