1-ethyl-3-(5-ethylthiophen-2-yl)pyrazol-4-amine

C11H15N3S — CID 83216758

IUPAC1-ethyl-3-(5-ethylthiophen-2-yl)pyrazol-4-amine
SMILESCCc1ccc(-c2nn(CC)cc2N)s1
InChIInChI=1S/C11H15N3S/c1-3-8-5-6-10(15-8)11-9(12)7-14(4-2)13-11/h5-7H,3-4,12H2,1-2H3
InChIKeyASLCTBJGEMBYOT-UHFFFAOYSA-N
MW221.33 g/mol
LogP2.78
Rot. Bonds3

About 1-ethyl-3-(5-ethylthiophen-2-yl)pyrazol-4-amine

1-ethyl-3-(5-ethylthiophen-2-yl)pyrazol-4-amine (PubChem CID 83216758) has the molecular formula C11H15N3S and a molecular weight of 221.33 g/mol. Its IUPAC name is 1-ethyl-3-(5-ethylthiophen-2-yl)pyrazol-4-amine.

Molecular Properties

Compound Name1-ethyl-3-(5-ethylthiophen-2-yl)pyrazol-4-amine
PubChem CID83216758
Molecular FormulaC11H15N3S
Molecular Weight221.33 g/mol
Exact Mass221.10
IUPAC Name1-ethyl-3-(5-ethylthiophen-2-yl)pyrazol-4-amine
SMILESCCc1ccc(-c2nn(CC)cc2N)s1
InChIInChI=1S/C11H15N3S/c1-3-8-5-6-10(15-8)11-9(12)7-14(4-2)13-11/h5-7H,3-4,12H2,1-2H3
InChIKeyASLCTBJGEMBYOT-UHFFFAOYSA-N
XLogP2.78
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(5-ethylthiophen-2-yl)pyrazol-4-amine?
The IUPAC name of 1-ethyl-3-(5-ethylthiophen-2-yl)pyrazol-4-amine (CID 83216758) is 1-ethyl-3-(5-ethylthiophen-2-yl)pyrazol-4-amine.
What is the SMILES notation for 1-ethyl-3-(5-ethylthiophen-2-yl)pyrazol-4-amine?
The canonical SMILES for 1-ethyl-3-(5-ethylthiophen-2-yl)pyrazol-4-amine is CCc1ccc(-c2nn(CC)cc2N)s1.
What is the InChIKey of 1-ethyl-3-(5-ethylthiophen-2-yl)pyrazol-4-amine?
The InChIKey is ASLCTBJGEMBYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S/c1-3-8-5-6-10(15-8)11-9(12)7-14(4-2)13-11/h5-7H,3-4,12H2,1-2H3.
What are the key properties of 1-ethyl-3-(5-ethylthiophen-2-yl)pyrazol-4-amine?
1-ethyl-3-(5-ethylthiophen-2-yl)pyrazol-4-amine has a molecular weight of 221.33 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(5-ethylthiophen-2-yl)pyrazol-4-amine is sourced from PubChem (CID 83216758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).