3-(2-ethoxyphenyl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine

C16H17N3OS — CID 62501713

IUPAC3-(2-ethoxyphenyl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine
SMILESCCOc1ccccc1-c1nn(C)c(N)c1-c1cccs1
InChIInChI=1S/C16H17N3OS/c1-3-20-12-8-5-4-7-11(12)15-14(13-9-6-10-21-13)16(17)19(2)18-15/h4-10H,3,17H2,1-2H3
InChIKeyMIHFZEYGXHFFMB-UHFFFAOYSA-N
MW299.40 g/mol
LogP3.80
Rot. Bonds4

About 3-(2-ethoxyphenyl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine

3-(2-ethoxyphenyl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine (PubChem CID 62501713) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is 3-(2-ethoxyphenyl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine.

Molecular Properties

Compound Name3-(2-ethoxyphenyl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine
PubChem CID62501713
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC Name3-(2-ethoxyphenyl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine
SMILESCCOc1ccccc1-c1nn(C)c(N)c1-c1cccs1
InChIInChI=1S/C16H17N3OS/c1-3-20-12-8-5-4-7-11(12)15-14(13-9-6-10-21-13)16(17)19(2)18-15/h4-10H,3,17H2,1-2H3
InChIKeyMIHFZEYGXHFFMB-UHFFFAOYSA-N
XLogP3.80
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyphenyl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine?
The IUPAC name of 3-(2-ethoxyphenyl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine (CID 62501713) is 3-(2-ethoxyphenyl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine.
What is the SMILES notation for 3-(2-ethoxyphenyl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine?
The canonical SMILES for 3-(2-ethoxyphenyl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine is CCOc1ccccc1-c1nn(C)c(N)c1-c1cccs1.
What is the InChIKey of 3-(2-ethoxyphenyl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine?
The InChIKey is MIHFZEYGXHFFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS/c1-3-20-12-8-5-4-7-11(12)15-14(13-9-6-10-21-13)16(17)19(2)18-15/h4-10H,3,17H2,1-2H3.
What are the key properties of 3-(2-ethoxyphenyl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine?
3-(2-ethoxyphenyl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine has a molecular weight of 299.40 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyphenyl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine is sourced from PubChem (CID 62501713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).