2-(1-aminocyclohexyl)-1-(2-ethylpyrazol-3-yl)ethanone

C13H21N3O — CID 116578933

IUPAC2-(1-aminocyclohexyl)-1-(2-ethylpyrazol-3-yl)ethanone
SMILESCCn1nccc1C(=O)CC1(N)CCCCC1
InChIInChI=1S/C13H21N3O/c1-2-16-11(6-9-15-16)12(17)10-13(14)7-4-3-5-8-13/h6,9H,2-5,7-8,10,14H2,1H3
InChIKeyQLIHSTXJYPJEMH-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.14
Rot. Bonds4

About 2-(1-aminocyclohexyl)-1-(2-ethylpyrazol-3-yl)ethanone

2-(1-aminocyclohexyl)-1-(2-ethylpyrazol-3-yl)ethanone (PubChem CID 116578933) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-(1-aminocyclohexyl)-1-(2-ethylpyrazol-3-yl)ethanone.

Molecular Properties

Compound Name2-(1-aminocyclohexyl)-1-(2-ethylpyrazol-3-yl)ethanone
PubChem CID116578933
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-(1-aminocyclohexyl)-1-(2-ethylpyrazol-3-yl)ethanone
SMILESCCn1nccc1C(=O)CC1(N)CCCCC1
InChIInChI=1S/C13H21N3O/c1-2-16-11(6-9-15-16)12(17)10-13(14)7-4-3-5-8-13/h6,9H,2-5,7-8,10,14H2,1H3
InChIKeyQLIHSTXJYPJEMH-UHFFFAOYSA-N
XLogP2.14
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-ethylpyrazol-3-yl)-(1-methylcyclopentyl)methanone
CID 114972401
[1-(dimethylamino)cycloheptyl]-(2-ethylpyrazol-3-yl)methanone
CID 79074193
(2-ethylpyrazol-3-yl)-(1-methoxycycloheptyl)methanone
CID 116750647
2-(1-aminocyclohexyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanone
CID 114669627
2-(1-aminocyclohexyl)-1-(1-ethylimidazol-2-yl)ethanone
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1-(2-ethylpyrazol-3-yl)-3-methylsulfanylpropan-1-one
CID 105100320
1-(2-ethylpyrazol-3-yl)nonan-1-one
CID 114972411
N-(cyclohexylmethyl)-2-ethylpyrazole-3-carboxamide
CID 155036093
2-amino-2-ethyl-1-(2-ethylpyrazol-3-yl)butan-1-one
CID 116592620
3-(diethylamino)-1-(2-ethylpyrazol-3-yl)propan-1-one
CID 79077603
2-(1-aminocyclopentyl)-1-(1-methylimidazol-4-yl)ethanone
CID 130509583
(2-ethylpyrazol-3-yl)-(2-ethylpyrrolidin-2-yl)methanone
CID 116608096

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclohexyl)-1-(2-ethylpyrazol-3-yl)ethanone?
The IUPAC name of 2-(1-aminocyclohexyl)-1-(2-ethylpyrazol-3-yl)ethanone (CID 116578933) is 2-(1-aminocyclohexyl)-1-(2-ethylpyrazol-3-yl)ethanone.
What is the SMILES notation for 2-(1-aminocyclohexyl)-1-(2-ethylpyrazol-3-yl)ethanone?
The canonical SMILES for 2-(1-aminocyclohexyl)-1-(2-ethylpyrazol-3-yl)ethanone is CCn1nccc1C(=O)CC1(N)CCCCC1.
What is the InChIKey of 2-(1-aminocyclohexyl)-1-(2-ethylpyrazol-3-yl)ethanone?
The InChIKey is QLIHSTXJYPJEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-2-16-11(6-9-15-16)12(17)10-13(14)7-4-3-5-8-13/h6,9H,2-5,7-8,10,14H2,1H3.
What are the key properties of 2-(1-aminocyclohexyl)-1-(2-ethylpyrazol-3-yl)ethanone?
2-(1-aminocyclohexyl)-1-(2-ethylpyrazol-3-yl)ethanone has a molecular weight of 235.33 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclohexyl)-1-(2-ethylpyrazol-3-yl)ethanone is sourced from PubChem (CID 116578933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).