1-(3-aminocyclohexyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone

C14H23N3O — CID 116568846

IUPAC1-(3-aminocyclohexyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone
SMILESCC(C)n1ccc(CC(=O)C2CCCC(N)C2)n1
InChIInChI=1S/C14H23N3O/c1-10(2)17-7-6-13(16-17)9-14(18)11-4-3-5-12(15)8-11/h6-7,10-12H,3-5,8-9,15H2,1-2H3
InChIKeyZMIYIZWDEQUTPW-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.09
Rot. Bonds4

About 1-(3-aminocyclohexyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone

1-(3-aminocyclohexyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone (PubChem CID 116568846) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 1-(3-aminocyclohexyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone.

Molecular Properties

Compound Name1-(3-aminocyclohexyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone
PubChem CID116568846
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name1-(3-aminocyclohexyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone
SMILESCC(C)n1ccc(CC(=O)C2CCCC(N)C2)n1
InChIInChI=1S/C14H23N3O/c1-10(2)17-7-6-13(16-17)9-14(18)11-4-3-5-12(15)8-11/h6-7,10-12H,3-5,8-9,15H2,1-2H3
InChIKeyZMIYIZWDEQUTPW-UHFFFAOYSA-N
XLogP2.09
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-aminocyclohexyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone?
The IUPAC name of 1-(3-aminocyclohexyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone (CID 116568846) is 1-(3-aminocyclohexyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone.
What is the SMILES notation for 1-(3-aminocyclohexyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone?
The canonical SMILES for 1-(3-aminocyclohexyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone is CC(C)n1ccc(CC(=O)C2CCCC(N)C2)n1.
What is the InChIKey of 1-(3-aminocyclohexyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone?
The InChIKey is ZMIYIZWDEQUTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-10(2)17-7-6-13(16-17)9-14(18)11-4-3-5-12(15)8-11/h6-7,10-12H,3-5,8-9,15H2,1-2H3.
What are the key properties of 1-(3-aminocyclohexyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone?
1-(3-aminocyclohexyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone has a molecular weight of 249.36 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminocyclohexyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone is sourced from PubChem (CID 116568846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).