1-(5-amino-1H-pyrazol-4-yl)nonan-1-one

C12H21N3O — CID 65360544

IUPAC1-(5-amino-1H-pyrazol-4-yl)nonan-1-one
SMILESCCCCCCCCC(=O)c1cn[nH]c1N
InChIInChI=1S/C12H21N3O/c1-2-3-4-5-6-7-8-11(16)10-9-14-15-12(10)13/h9H,2-8H2,1H3,(H3,13,14,15)
InChIKeyCPYLPJKNXSYXJY-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.93
Rot. Bonds8

About 1-(5-amino-1H-pyrazol-4-yl)nonan-1-one

1-(5-amino-1H-pyrazol-4-yl)nonan-1-one (PubChem CID 65360544) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-(5-amino-1H-pyrazol-4-yl)nonan-1-one.

Molecular Properties

Compound Name1-(5-amino-1H-pyrazol-4-yl)nonan-1-one
PubChem CID65360544
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name1-(5-amino-1H-pyrazol-4-yl)nonan-1-one
SMILESCCCCCCCCC(=O)c1cn[nH]c1N
InChIInChI=1S/C12H21N3O/c1-2-3-4-5-6-7-8-11(16)10-9-14-15-12(10)13/h9H,2-8H2,1H3,(H3,13,14,15)
InChIKeyCPYLPJKNXSYXJY-UHFFFAOYSA-N
XLogP2.93
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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1-(2-aminophenyl)pentadecan-1-one
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1-(5-amino-1H-pyrazol-4-yl)-2-(5-ethylthiophen-2-yl)ethanone
CID 65360332
1-(5-amino-1H-imidazol-2-yl)hexan-1-one
CID 174269725
1-(2,3-diaminophenyl)octadecan-1-one
CID 68839218
5-hexanoyl-2,3-dimethyl-1H-pyridin-4-one
CID 159429239
1-(5-dodecanoyl-2,4-dihydroxyphenyl)dodecan-1-one
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1-(2-amino-5-methylphenyl)nonan-1-one
CID 116581263

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-1H-pyrazol-4-yl)nonan-1-one?
The IUPAC name of 1-(5-amino-1H-pyrazol-4-yl)nonan-1-one (CID 65360544) is 1-(5-amino-1H-pyrazol-4-yl)nonan-1-one.
What is the SMILES notation for 1-(5-amino-1H-pyrazol-4-yl)nonan-1-one?
The canonical SMILES for 1-(5-amino-1H-pyrazol-4-yl)nonan-1-one is CCCCCCCCC(=O)c1cn[nH]c1N.
What is the InChIKey of 1-(5-amino-1H-pyrazol-4-yl)nonan-1-one?
The InChIKey is CPYLPJKNXSYXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-2-3-4-5-6-7-8-11(16)10-9-14-15-12(10)13/h9H,2-8H2,1H3,(H3,13,14,15).
What are the key properties of 1-(5-amino-1H-pyrazol-4-yl)nonan-1-one?
1-(5-amino-1H-pyrazol-4-yl)nonan-1-one has a molecular weight of 223.32 g/mol, XLogP of 2.93, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-1H-pyrazol-4-yl)nonan-1-one is sourced from PubChem (CID 65360544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).