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

C10H17N3O — CID 65360495

IUPAC1-(5-amino-1H-pyrazol-4-yl)heptan-1-one
SMILESCCCCCCC(=O)c1cn[nH]c1N
InChIInChI=1S/C10H17N3O/c1-2-3-4-5-6-9(14)8-7-12-13-10(8)11/h7H,2-6H2,1H3,(H3,11,12,13)
InChIKeyHBLHVUGLQMUHMM-UHFFFAOYSA-N
MW195.27 g/mol
LogP2.14
Rot. Bonds6

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

1-(5-amino-1H-pyrazol-4-yl)heptan-1-one (PubChem CID 65360495) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 1-(5-amino-1H-pyrazol-4-yl)heptan-1-one.

Molecular Properties

Compound Name1-(5-amino-1H-pyrazol-4-yl)heptan-1-one
PubChem CID65360495
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name1-(5-amino-1H-pyrazol-4-yl)heptan-1-one
SMILESCCCCCCC(=O)c1cn[nH]c1N
InChIInChI=1S/C10H17N3O/c1-2-3-4-5-6-9(14)8-7-12-13-10(8)11/h7H,2-6H2,1H3,(H3,11,12,13)
InChIKeyHBLHVUGLQMUHMM-UHFFFAOYSA-N
XLogP2.14
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 52.14
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
5-hexanoyl-2,3-dimethyl-1H-pyridin-4-one
CID 159429239
1-(2,3-diaminophenyl)octadecan-1-one
CID 68839218
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)heptan-1-one?
The IUPAC name of 1-(5-amino-1H-pyrazol-4-yl)heptan-1-one (CID 65360495) is 1-(5-amino-1H-pyrazol-4-yl)heptan-1-one.
What is the SMILES notation for 1-(5-amino-1H-pyrazol-4-yl)heptan-1-one?
The canonical SMILES for 1-(5-amino-1H-pyrazol-4-yl)heptan-1-one is CCCCCCC(=O)c1cn[nH]c1N.
What is the InChIKey of 1-(5-amino-1H-pyrazol-4-yl)heptan-1-one?
The InChIKey is HBLHVUGLQMUHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-2-3-4-5-6-9(14)8-7-12-13-10(8)11/h7H,2-6H2,1H3,(H3,11,12,13).
What are the key properties of 1-(5-amino-1H-pyrazol-4-yl)heptan-1-one?
1-(5-amino-1H-pyrazol-4-yl)heptan-1-one has a molecular weight of 195.27 g/mol, XLogP of 2.14, 6 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)heptan-1-one is sourced from PubChem (CID 65360495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).