2-(1-aminocyclohexyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanone

C14H23N3O2 — CID 114669627

IUPAC2-(1-aminocyclohexyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanone
SMILESCCn1ncc(OC)c1C(=O)CC1(N)CCCCC1
InChIInChI=1S/C14H23N3O2/c1-3-17-13(12(19-2)10-16-17)11(18)9-14(15)7-5-4-6-8-14/h10H,3-9,15H2,1-2H3
InChIKeyGOGKMIYHZURHCI-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.15
Rot. Bonds5

About 2-(1-aminocyclohexyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanone

2-(1-aminocyclohexyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanone (PubChem CID 114669627) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-(1-aminocyclohexyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanone.

Molecular Properties

Compound Name2-(1-aminocyclohexyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanone
PubChem CID114669627
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name2-(1-aminocyclohexyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanone
SMILESCCn1ncc(OC)c1C(=O)CC1(N)CCCCC1
InChIInChI=1S/C14H23N3O2/c1-3-17-13(12(19-2)10-16-17)11(18)9-14(15)7-5-4-6-8-14/h10H,3-9,15H2,1-2H3
InChIKeyGOGKMIYHZURHCI-UHFFFAOYSA-N
XLogP2.15
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-aminocyclopentyl)-1-(4-methoxy-1-propylpyrazol-5-yl)ethanone
CID 114669614
2-(1-aminocyclohexyl)-1-(2,6-dimethoxyphenyl)ethanone
CID 116811535
2-(1-aminocyclohexyl)-1-(2-ethylpyrazol-3-yl)ethanone
CID 116578933
1-(1-ethyl-4-methoxypyrazol-5-yl)-2-(thian-4-yl)ethanone
CID 105133121
2-amino-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methylpropan-1-one
CID 114668718
3-amino-1-(1-ethyl-4-methoxypyrazol-5-yl)-4,4-dimethylpentan-1-one
CID 114671046
2-(4-aminopiperidin-1-yl)-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanone
CID 114670325
2-(2,6-dichlorophenyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanone
CID 114639632
(4-methoxy-1-propylpyrazol-5-yl)-(1-methylcyclohexyl)methanone
CID 106829733
1-(1-ethyl-4-methoxypyrazol-5-yl)-2-pyridin-4-ylethanone
CID 114639766
(1-ethyl-4-methoxypyrazol-5-yl)-(3-propylpiperidin-3-yl)methanone
CID 114669187
1-(1-ethyl-4-methoxypyrazol-5-yl)-3-phenoxypropan-1-one
CID 114638771

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclohexyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanone?
The IUPAC name of 2-(1-aminocyclohexyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanone (CID 114669627) is 2-(1-aminocyclohexyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanone.
What is the SMILES notation for 2-(1-aminocyclohexyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanone?
The canonical SMILES for 2-(1-aminocyclohexyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanone is CCn1ncc(OC)c1C(=O)CC1(N)CCCCC1.
What is the InChIKey of 2-(1-aminocyclohexyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanone?
The InChIKey is GOGKMIYHZURHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-3-17-13(12(19-2)10-16-17)11(18)9-14(15)7-5-4-6-8-14/h10H,3-9,15H2,1-2H3.
What are the key properties of 2-(1-aminocyclohexyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanone?
2-(1-aminocyclohexyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanone has a molecular weight of 265.36 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclohexyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanone is sourced from PubChem (CID 114669627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).