3-ethyl-1-methyl-5-(2-thiophen-2-ylethoxy)pyrazol-4-amine

C12H17N3OS — CID 66016072

IUPAC3-ethyl-1-methyl-5-(2-thiophen-2-ylethoxy)pyrazol-4-amine
SMILESCCc1nn(C)c(OCCc2cccs2)c1N
InChIInChI=1S/C12H17N3OS/c1-3-10-11(13)12(15(2)14-10)16-7-6-9-5-4-8-17-9/h4-5,8H,3,6-7,13H2,1-2H3
InChIKeyWKJBUVCFVXUJIJ-UHFFFAOYSA-N
MW251.35 g/mol
LogP2.25
Rot. Bonds5

About 3-ethyl-1-methyl-5-(2-thiophen-2-ylethoxy)pyrazol-4-amine

3-ethyl-1-methyl-5-(2-thiophen-2-ylethoxy)pyrazol-4-amine (PubChem CID 66016072) has the molecular formula C12H17N3OS and a molecular weight of 251.35 g/mol. Its IUPAC name is 3-ethyl-1-methyl-5-(2-thiophen-2-ylethoxy)pyrazol-4-amine.

Molecular Properties

Compound Name3-ethyl-1-methyl-5-(2-thiophen-2-ylethoxy)pyrazol-4-amine
PubChem CID66016072
Molecular FormulaC12H17N3OS
Molecular Weight251.35 g/mol
Exact Mass251.11
IUPAC Name3-ethyl-1-methyl-5-(2-thiophen-2-ylethoxy)pyrazol-4-amine
SMILESCCc1nn(C)c(OCCc2cccs2)c1N
InChIInChI=1S/C12H17N3OS/c1-3-10-11(13)12(15(2)14-10)16-7-6-9-5-4-8-17-9/h4-5,8H,3,6-7,13H2,1-2H3
InChIKeyWKJBUVCFVXUJIJ-UHFFFAOYSA-N
XLogP2.25
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-3-propyl-5-(thiophen-2-ylmethoxy)pyrazol-4-amine
CID 66019505
3-ethyl-5-[2-(2-methoxyethoxy)ethoxy]-1-methylpyrazol-4-amine
CID 104560010
3-ethyl-1-methyl-6-(thiophen-2-ylmethyl)imidazo[4,5-d]pyrazol-5-amine
CID 79300537
4-propoxy-6-(2-thiophen-2-ylethoxy)-1,3,5-triazin-2-amine
CID 80873586
1-methyl-3-(2-thiophen-2-ylethyl)pyrazol-5-amine
CID 82077522
2-[2-(3-ethylphenoxy)ethyl]thiophene
CID 64764928
2-propyl-6-(2-thiophen-2-ylethoxy)pyrimidin-4-amine
CID 80949925
3-ethyl-1-methyl-5-N-(1-thiophen-2-ylethyl)pyrazole-4,5-diamine
CID 66015588
4-(2-thiophen-2-ylethoxy)benzene-1,2-diamine
CID 106748443
5-[2-(2-methoxyethoxy)ethoxy]-1-methyl-3-propylpyrazol-4-amine
CID 104559958
3-ethyl-1-methyl-5-N-(1-thiophen-2-ylbutyl)pyrazole-4,5-diamine
CID 66014606
3-ethyl-1-methyl-6-(thiophen-2-ylmethyl)-4H-imidazo[4,5-d]pyrazole-5-thione
CID 79302713

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-5-(2-thiophen-2-ylethoxy)pyrazol-4-amine?
The IUPAC name of 3-ethyl-1-methyl-5-(2-thiophen-2-ylethoxy)pyrazol-4-amine (CID 66016072) is 3-ethyl-1-methyl-5-(2-thiophen-2-ylethoxy)pyrazol-4-amine.
What is the SMILES notation for 3-ethyl-1-methyl-5-(2-thiophen-2-ylethoxy)pyrazol-4-amine?
The canonical SMILES for 3-ethyl-1-methyl-5-(2-thiophen-2-ylethoxy)pyrazol-4-amine is CCc1nn(C)c(OCCc2cccs2)c1N.
What is the InChIKey of 3-ethyl-1-methyl-5-(2-thiophen-2-ylethoxy)pyrazol-4-amine?
The InChIKey is WKJBUVCFVXUJIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS/c1-3-10-11(13)12(15(2)14-10)16-7-6-9-5-4-8-17-9/h4-5,8H,3,6-7,13H2,1-2H3.
What are the key properties of 3-ethyl-1-methyl-5-(2-thiophen-2-ylethoxy)pyrazol-4-amine?
3-ethyl-1-methyl-5-(2-thiophen-2-ylethoxy)pyrazol-4-amine has a molecular weight of 251.35 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-5-(2-thiophen-2-ylethoxy)pyrazol-4-amine is sourced from PubChem (CID 66016072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).