2-(3,5-diethylpyrazol-1-yl)cyclopentan-1-amine

C12H21N3 — CID 82692230

IUPAC2-(3,5-diethylpyrazol-1-yl)cyclopentan-1-amine
SMILESCCc1cc(CC)n(C2CCCC2N)n1
InChIInChI=1S/C12H21N3/c1-3-9-8-10(4-2)15(14-9)12-7-5-6-11(12)13/h8,11-12H,3-7,13H2,1-2H3
InChIKeyISURPSQDWSHSGL-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.06
Rot. Bonds3

About 2-(3,5-diethylpyrazol-1-yl)cyclopentan-1-amine

2-(3,5-diethylpyrazol-1-yl)cyclopentan-1-amine (PubChem CID 82692230) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-(3,5-diethylpyrazol-1-yl)cyclopentan-1-amine.

Molecular Properties

Compound Name2-(3,5-diethylpyrazol-1-yl)cyclopentan-1-amine
PubChem CID82692230
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name2-(3,5-diethylpyrazol-1-yl)cyclopentan-1-amine
SMILESCCc1cc(CC)n(C2CCCC2N)n1
InChIInChI=1S/C12H21N3/c1-3-9-8-10(4-2)15(14-9)12-7-5-6-11(12)13/h8,11-12H,3-7,13H2,1-2H3
InChIKeyISURPSQDWSHSGL-UHFFFAOYSA-N
XLogP2.06
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-diethylpyrazol-1-yl)cyclopentan-1-amine?
The IUPAC name of 2-(3,5-diethylpyrazol-1-yl)cyclopentan-1-amine (CID 82692230) is 2-(3,5-diethylpyrazol-1-yl)cyclopentan-1-amine.
What is the SMILES notation for 2-(3,5-diethylpyrazol-1-yl)cyclopentan-1-amine?
The canonical SMILES for 2-(3,5-diethylpyrazol-1-yl)cyclopentan-1-amine is CCc1cc(CC)n(C2CCCC2N)n1.
What is the InChIKey of 2-(3,5-diethylpyrazol-1-yl)cyclopentan-1-amine?
The InChIKey is ISURPSQDWSHSGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-3-9-8-10(4-2)15(14-9)12-7-5-6-11(12)13/h8,11-12H,3-7,13H2,1-2H3.
What are the key properties of 2-(3,5-diethylpyrazol-1-yl)cyclopentan-1-amine?
2-(3,5-diethylpyrazol-1-yl)cyclopentan-1-amine has a molecular weight of 207.32 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-diethylpyrazol-1-yl)cyclopentan-1-amine is sourced from PubChem (CID 82692230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).