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

C12H21N3 — CID 82692472

IUPAC3-(3,5-diethylpyrazol-1-yl)cyclopentan-1-amine
SMILESCCc1cc(CC)n(C2CCC(N)C2)n1
InChIInChI=1S/C12H21N3/c1-3-10-8-11(4-2)15(14-10)12-6-5-9(13)7-12/h8-9,12H,3-7,13H2,1-2H3
InChIKeyUYXQOLQBAGTHAS-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.06
Rot. Bonds3

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

3-(3,5-diethylpyrazol-1-yl)cyclopentan-1-amine (PubChem CID 82692472) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 3-(3,5-diethylpyrazol-1-yl)cyclopentan-1-amine.

Molecular Properties

Compound Name3-(3,5-diethylpyrazol-1-yl)cyclopentan-1-amine
PubChem CID82692472
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name3-(3,5-diethylpyrazol-1-yl)cyclopentan-1-amine
SMILESCCc1cc(CC)n(C2CCC(N)C2)n1
InChIInChI=1S/C12H21N3/c1-3-10-8-11(4-2)15(14-10)12-6-5-9(13)7-12/h8-9,12H,3-7,13H2,1-2H3
InChIKeyUYXQOLQBAGTHAS-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 3-(3,5-diethylpyrazol-1-yl)cyclopentan-1-amine?
The IUPAC name of 3-(3,5-diethylpyrazol-1-yl)cyclopentan-1-amine (CID 82692472) is 3-(3,5-diethylpyrazol-1-yl)cyclopentan-1-amine.
What is the SMILES notation for 3-(3,5-diethylpyrazol-1-yl)cyclopentan-1-amine?
The canonical SMILES for 3-(3,5-diethylpyrazol-1-yl)cyclopentan-1-amine is CCc1cc(CC)n(C2CCC(N)C2)n1.
What is the InChIKey of 3-(3,5-diethylpyrazol-1-yl)cyclopentan-1-amine?
The InChIKey is UYXQOLQBAGTHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-3-10-8-11(4-2)15(14-10)12-6-5-9(13)7-12/h8-9,12H,3-7,13H2,1-2H3.
What are the key properties of 3-(3,5-diethylpyrazol-1-yl)cyclopentan-1-amine?
3-(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 3-(3,5-diethylpyrazol-1-yl)cyclopentan-1-amine is sourced from PubChem (CID 82692472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).