N-ethyl-3-[1-(1,3-thiazol-2-yl)pyrazol-4-yl]propan-1-amine

C11H16N4S — CID 82880308

IUPACN-ethyl-3-[1-(1,3-thiazol-2-yl)pyrazol-4-yl]propan-1-amine
SMILESCCNCCCc1cnn(-c2nccs2)c1
InChIInChI=1S/C11H16N4S/c1-2-12-5-3-4-10-8-14-15(9-10)11-13-6-7-16-11/h6-9,12H,2-5H2,1H3
InChIKeyHZTXBKFLMYBJSG-UHFFFAOYSA-N
MW236.34 g/mol
LogP1.87
Rot. Bonds6

About N-ethyl-3-[1-(1,3-thiazol-2-yl)pyrazol-4-yl]propan-1-amine

N-ethyl-3-[1-(1,3-thiazol-2-yl)pyrazol-4-yl]propan-1-amine (PubChem CID 82880308) has the molecular formula C11H16N4S and a molecular weight of 236.34 g/mol. Its IUPAC name is N-ethyl-3-[1-(1,3-thiazol-2-yl)pyrazol-4-yl]propan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-[1-(1,3-thiazol-2-yl)pyrazol-4-yl]propan-1-amine
PubChem CID82880308
Molecular FormulaC11H16N4S
Molecular Weight236.34 g/mol
Exact Mass236.11
IUPAC NameN-ethyl-3-[1-(1,3-thiazol-2-yl)pyrazol-4-yl]propan-1-amine
SMILESCCNCCCc1cnn(-c2nccs2)c1
InChIInChI=1S/C11H16N4S/c1-2-12-5-3-4-10-8-14-15(9-10)11-13-6-7-16-11/h6-9,12H,2-5H2,1H3
InChIKeyHZTXBKFLMYBJSG-UHFFFAOYSA-N
XLogP1.87
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[1-(1,3-thiazol-2-yl)pyrazol-4-yl]propan-1-amine?
The IUPAC name of N-ethyl-3-[1-(1,3-thiazol-2-yl)pyrazol-4-yl]propan-1-amine (CID 82880308) is N-ethyl-3-[1-(1,3-thiazol-2-yl)pyrazol-4-yl]propan-1-amine.
What is the SMILES notation for N-ethyl-3-[1-(1,3-thiazol-2-yl)pyrazol-4-yl]propan-1-amine?
The canonical SMILES for N-ethyl-3-[1-(1,3-thiazol-2-yl)pyrazol-4-yl]propan-1-amine is CCNCCCc1cnn(-c2nccs2)c1.
What is the InChIKey of N-ethyl-3-[1-(1,3-thiazol-2-yl)pyrazol-4-yl]propan-1-amine?
The InChIKey is HZTXBKFLMYBJSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4S/c1-2-12-5-3-4-10-8-14-15(9-10)11-13-6-7-16-11/h6-9,12H,2-5H2,1H3.
What are the key properties of N-ethyl-3-[1-(1,3-thiazol-2-yl)pyrazol-4-yl]propan-1-amine?
N-ethyl-3-[1-(1,3-thiazol-2-yl)pyrazol-4-yl]propan-1-amine has a molecular weight of 236.34 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[1-(1,3-thiazol-2-yl)pyrazol-4-yl]propan-1-amine is sourced from PubChem (CID 82880308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).