2-amino-1-(azocan-1-yl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone

C14H24N4O — CID 70758046

IUPAC2-amino-1-(azocan-1-yl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone
SMILESCc1n[nH]c(C)c1C(N)C(=O)N1CCCCCCC1
InChIInChI=1S/C14H24N4O/c1-10-12(11(2)17-16-10)13(15)14(19)18-8-6-4-3-5-7-9-18/h13H,3-9,15H2,1-2H3,(H,16,17)
InChIKeyGNUBSOWPBYIXGU-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.82
Rot. Bonds2

About 2-amino-1-(azocan-1-yl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone

2-amino-1-(azocan-1-yl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone (PubChem CID 70758046) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-amino-1-(azocan-1-yl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone.

Molecular Properties

Compound Name2-amino-1-(azocan-1-yl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone
PubChem CID70758046
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name2-amino-1-(azocan-1-yl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone
SMILESCc1n[nH]c(C)c1C(N)C(=O)N1CCCCCCC1
InChIInChI=1S/C14H24N4O/c1-10-12(11(2)17-16-10)13(15)14(19)18-8-6-4-3-5-7-9-18/h13H,3-9,15H2,1-2H3,(H,16,17)
InChIKeyGNUBSOWPBYIXGU-UHFFFAOYSA-N
XLogP1.82
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(azocan-1-yl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone?
The IUPAC name of 2-amino-1-(azocan-1-yl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone (CID 70758046) is 2-amino-1-(azocan-1-yl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone.
What is the SMILES notation for 2-amino-1-(azocan-1-yl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone?
The canonical SMILES for 2-amino-1-(azocan-1-yl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone is Cc1n[nH]c(C)c1C(N)C(=O)N1CCCCCCC1.
What is the InChIKey of 2-amino-1-(azocan-1-yl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone?
The InChIKey is GNUBSOWPBYIXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-10-12(11(2)17-16-10)13(15)14(19)18-8-6-4-3-5-7-9-18/h13H,3-9,15H2,1-2H3,(H,16,17).
What are the key properties of 2-amino-1-(azocan-1-yl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone?
2-amino-1-(azocan-1-yl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone has a molecular weight of 264.37 g/mol, XLogP of 1.82, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(azocan-1-yl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone is sourced from PubChem (CID 70758046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).