1-[2-(cyclopentylmethylsulfanyl)ethyl]pyrazol-4-amine

C11H19N3S — CID 63119332

IUPAC1-[2-(cyclopentylmethylsulfanyl)ethyl]pyrazol-4-amine
SMILESNc1cnn(CCSCC2CCCC2)c1
InChIInChI=1S/C11H19N3S/c12-11-7-13-14(8-11)5-6-15-9-10-3-1-2-4-10/h7-8,10H,1-6,9,12H2
InChIKeyGCLCAVYJYMGXQF-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.39
Rot. Bonds5

About 1-[2-(cyclopentylmethylsulfanyl)ethyl]pyrazol-4-amine

1-[2-(cyclopentylmethylsulfanyl)ethyl]pyrazol-4-amine (PubChem CID 63119332) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is 1-[2-(cyclopentylmethylsulfanyl)ethyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-[2-(cyclopentylmethylsulfanyl)ethyl]pyrazol-4-amine
PubChem CID63119332
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Name1-[2-(cyclopentylmethylsulfanyl)ethyl]pyrazol-4-amine
SMILESNc1cnn(CCSCC2CCCC2)c1
InChIInChI=1S/C11H19N3S/c12-11-7-13-14(8-11)5-6-15-9-10-3-1-2-4-10/h7-8,10H,1-6,9,12H2
InChIKeyGCLCAVYJYMGXQF-UHFFFAOYSA-N
XLogP2.39
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 1-[2-(cyclopentylmethylsulfanyl)ethyl]pyrazol-4-amine?
The IUPAC name of 1-[2-(cyclopentylmethylsulfanyl)ethyl]pyrazol-4-amine (CID 63119332) is 1-[2-(cyclopentylmethylsulfanyl)ethyl]pyrazol-4-amine.
What is the SMILES notation for 1-[2-(cyclopentylmethylsulfanyl)ethyl]pyrazol-4-amine?
The canonical SMILES for 1-[2-(cyclopentylmethylsulfanyl)ethyl]pyrazol-4-amine is Nc1cnn(CCSCC2CCCC2)c1.
What is the InChIKey of 1-[2-(cyclopentylmethylsulfanyl)ethyl]pyrazol-4-amine?
The InChIKey is GCLCAVYJYMGXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c12-11-7-13-14(8-11)5-6-15-9-10-3-1-2-4-10/h7-8,10H,1-6,9,12H2.
What are the key properties of 1-[2-(cyclopentylmethylsulfanyl)ethyl]pyrazol-4-amine?
1-[2-(cyclopentylmethylsulfanyl)ethyl]pyrazol-4-amine has a molecular weight of 225.36 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclopentylmethylsulfanyl)ethyl]pyrazol-4-amine is sourced from PubChem (CID 63119332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).