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

C16H25N3O — CID 116550638

IUPAC1-(1-aminocyclohexyl)-2-(1-cyclopentylpyrazol-3-yl)ethanone
SMILESNC1(C(=O)Cc2ccn(C3CCCC3)n2)CCCCC1
InChIInChI=1S/C16H25N3O/c17-16(9-4-1-5-10-16)15(20)12-13-8-11-19(18-13)14-6-2-3-7-14/h8,11,14H,1-7,9-10,12,17H2
InChIKeyTYATWVILICMMEJ-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.77
Rot. Bonds4

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

1-(1-aminocyclohexyl)-2-(1-cyclopentylpyrazol-3-yl)ethanone (PubChem CID 116550638) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 1-(1-aminocyclohexyl)-2-(1-cyclopentylpyrazol-3-yl)ethanone.

Molecular Properties

Compound Name1-(1-aminocyclohexyl)-2-(1-cyclopentylpyrazol-3-yl)ethanone
PubChem CID116550638
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name1-(1-aminocyclohexyl)-2-(1-cyclopentylpyrazol-3-yl)ethanone
SMILESNC1(C(=O)Cc2ccn(C3CCCC3)n2)CCCCC1
InChIInChI=1S/C16H25N3O/c17-16(9-4-1-5-10-16)15(20)12-13-8-11-19(18-13)14-6-2-3-7-14/h8,11,14H,1-7,9-10,12,17H2
InChIKeyTYATWVILICMMEJ-UHFFFAOYSA-N
XLogP2.77
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-aminocyclohexyl)-2-(1-cyclopentylpyrazol-3-yl)ethanone?
The IUPAC name of 1-(1-aminocyclohexyl)-2-(1-cyclopentylpyrazol-3-yl)ethanone (CID 116550638) is 1-(1-aminocyclohexyl)-2-(1-cyclopentylpyrazol-3-yl)ethanone.
What is the SMILES notation for 1-(1-aminocyclohexyl)-2-(1-cyclopentylpyrazol-3-yl)ethanone?
The canonical SMILES for 1-(1-aminocyclohexyl)-2-(1-cyclopentylpyrazol-3-yl)ethanone is NC1(C(=O)Cc2ccn(C3CCCC3)n2)CCCCC1.
What is the InChIKey of 1-(1-aminocyclohexyl)-2-(1-cyclopentylpyrazol-3-yl)ethanone?
The InChIKey is TYATWVILICMMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c17-16(9-4-1-5-10-16)15(20)12-13-8-11-19(18-13)14-6-2-3-7-14/h8,11,14H,1-7,9-10,12,17H2.
What are the key properties of 1-(1-aminocyclohexyl)-2-(1-cyclopentylpyrazol-3-yl)ethanone?
1-(1-aminocyclohexyl)-2-(1-cyclopentylpyrazol-3-yl)ethanone has a molecular weight of 275.40 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminocyclohexyl)-2-(1-cyclopentylpyrazol-3-yl)ethanone is sourced from PubChem (CID 116550638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).