1-[2-(cyclopentylmethylsulfanyl)ethyl]pyrazol-3-amine

C11H19N3S — CID 63316214

IUPAC1-[2-(cyclopentylmethylsulfanyl)ethyl]pyrazol-3-amine
SMILESNc1ccn(CCSCC2CCCC2)n1
InChIInChI=1S/C11H19N3S/c12-11-5-6-14(13-11)7-8-15-9-10-3-1-2-4-10/h5-6,10H,1-4,7-9H2,(H2,12,13)
InChIKeyFEDPTGWKAORORX-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.39
Rot. Bonds5

About 1-[2-(cyclopentylmethylsulfanyl)ethyl]pyrazol-3-amine

1-[2-(cyclopentylmethylsulfanyl)ethyl]pyrazol-3-amine (PubChem CID 63316214) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is 1-[2-(cyclopentylmethylsulfanyl)ethyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-[2-(cyclopentylmethylsulfanyl)ethyl]pyrazol-3-amine
PubChem CID63316214
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Name1-[2-(cyclopentylmethylsulfanyl)ethyl]pyrazol-3-amine
SMILESNc1ccn(CCSCC2CCCC2)n1
InChIInChI=1S/C11H19N3S/c12-11-5-6-14(13-11)7-8-15-9-10-3-1-2-4-10/h5-6,10H,1-4,7-9H2,(H2,12,13)
InChIKeyFEDPTGWKAORORX-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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Related Compounds

1-[2-(cyclopentylmethylsulfanyl)ethyl]pyrazol-4-amine
CID 63119332
2-[2-(3-aminopyrazol-1-yl)ethylsulfanyl]ethanol
CID 63316468
1-[2-(cycloheptylmethoxy)ethyl]pyrazol-3-amine
CID 114248067
1-[2-(2-methylcyclohexyl)oxyethyl]pyrazol-3-amine
CID 63315810
5-amino-1-[2-(cyclopentylmethylsulfanyl)ethyl]pyridin-2-one
CID 55177922
1-[2-(2-cyclopropylethoxy)ethyl]pyrazol-3-amine
CID 106200002
1-[3-(1-cyclopentyltetrazol-5-yl)sulfanylpropyl]pyrazol-3-amine
CID 63310896
1-[2-(2-methylpyrrolidin-1-yl)ethyl]pyrazol-3-amine
CID 63318333
1-[2-(oxolan-2-yl)ethyl]pyrazol-3-amine
CID 65161520
1-[3-(3-methylcyclohexyl)sulfanylpropyl]pyrazol-3-amine
CID 63310858
tert-butyl 2-[2-(3-aminopyrazol-1-yl)ethylsulfanyl]acetate
CID 116686891
1-[2-(4-fluorophenyl)sulfanylethyl]pyrazol-3-amine
CID 63315951

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclopentylmethylsulfanyl)ethyl]pyrazol-3-amine?
The IUPAC name of 1-[2-(cyclopentylmethylsulfanyl)ethyl]pyrazol-3-amine (CID 63316214) is 1-[2-(cyclopentylmethylsulfanyl)ethyl]pyrazol-3-amine.
What is the SMILES notation for 1-[2-(cyclopentylmethylsulfanyl)ethyl]pyrazol-3-amine?
The canonical SMILES for 1-[2-(cyclopentylmethylsulfanyl)ethyl]pyrazol-3-amine is Nc1ccn(CCSCC2CCCC2)n1.
What is the InChIKey of 1-[2-(cyclopentylmethylsulfanyl)ethyl]pyrazol-3-amine?
The InChIKey is FEDPTGWKAORORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c12-11-5-6-14(13-11)7-8-15-9-10-3-1-2-4-10/h5-6,10H,1-4,7-9H2,(H2,12,13).
What are the key properties of 1-[2-(cyclopentylmethylsulfanyl)ethyl]pyrazol-3-amine?
1-[2-(cyclopentylmethylsulfanyl)ethyl]pyrazol-3-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-3-amine is sourced from PubChem (CID 63316214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).