2-cyclopentyl-1-(1-ethylpyrazol-4-yl)ethanamine

C12H21N3 — CID 115816159

IUPAC2-cyclopentyl-1-(1-ethylpyrazol-4-yl)ethanamine
SMILESCCn1cc(C(N)CC2CCCC2)cn1
InChIInChI=1S/C12H21N3/c1-2-15-9-11(8-14-15)12(13)7-10-5-3-4-6-10/h8-10,12H,2-7,13H2,1H3
InChIKeyXGFLLWSEMOPJSV-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.48
Rot. Bonds4

About 2-cyclopentyl-1-(1-ethylpyrazol-4-yl)ethanamine

2-cyclopentyl-1-(1-ethylpyrazol-4-yl)ethanamine (PubChem CID 115816159) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-cyclopentyl-1-(1-ethylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-cyclopentyl-1-(1-ethylpyrazol-4-yl)ethanamine
PubChem CID115816159
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name2-cyclopentyl-1-(1-ethylpyrazol-4-yl)ethanamine
SMILESCCn1cc(C(N)CC2CCCC2)cn1
InChIInChI=1S/C12H21N3/c1-2-15-9-11(8-14-15)12(13)7-10-5-3-4-6-10/h8-10,12H,2-7,13H2,1H3
InChIKeyXGFLLWSEMOPJSV-UHFFFAOYSA-N
XLogP2.48
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclooctyl-(1-ethylpyrazol-4-yl)methanamine
CID 80603190
2-cyclobutyl-1-(1-ethylpyrazol-4-yl)-N-methylethanamine
CID 103168314
2-cycloheptyl-1-(1-phenylpyrazol-4-yl)ethanamine
CID 114457498
2-(oxolan-3-yl)-1-(1-propylpyrazol-4-yl)ethanamine
CID 103986856
N-(cyclohexylmethyl)-1-(1-ethylpyrazol-4-yl)-N-methylethane-1,2-diamine
CID 103569513
1-(1-ethylpyrazol-4-yl)pentan-1-amine
CID 79412573
2-cyclopropyl-1-(1-ethylpyrazol-4-yl)propan-1-ol
CID 115779051
[1-cyclobutyl-3-(1-ethylpyrazol-4-yl)propan-2-yl]hydrazine
CID 103170429
(1-ethylpyrazol-4-yl)-(oxan-3-yl)methanamine
CID 65332290
1-[1-[1-(1-ethylpyrazol-4-yl)ethyl]piperidin-2-yl]ethanamine
CID 63255319
[(1-ethylpyrazol-4-yl)-(4-propylcyclohexyl)methyl]hydrazine
CID 105232222
N-cyclopentyl-1-(1-ethylpyrazol-4-yl)ethane-1,2-diamine
CID 103569652

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-(1-ethylpyrazol-4-yl)ethanamine?
The IUPAC name of 2-cyclopentyl-1-(1-ethylpyrazol-4-yl)ethanamine (CID 115816159) is 2-cyclopentyl-1-(1-ethylpyrazol-4-yl)ethanamine.
What is the SMILES notation for 2-cyclopentyl-1-(1-ethylpyrazol-4-yl)ethanamine?
The canonical SMILES for 2-cyclopentyl-1-(1-ethylpyrazol-4-yl)ethanamine is CCn1cc(C(N)CC2CCCC2)cn1.
What is the InChIKey of 2-cyclopentyl-1-(1-ethylpyrazol-4-yl)ethanamine?
The InChIKey is XGFLLWSEMOPJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-2-15-9-11(8-14-15)12(13)7-10-5-3-4-6-10/h8-10,12H,2-7,13H2,1H3.
What are the key properties of 2-cyclopentyl-1-(1-ethylpyrazol-4-yl)ethanamine?
2-cyclopentyl-1-(1-ethylpyrazol-4-yl)ethanamine has a molecular weight of 207.32 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-(1-ethylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 115816159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).