1-(3-heptoxypropyl)pyrazol-3-amine

C13H25N3O — CID 63311023

IUPAC1-(3-heptoxypropyl)pyrazol-3-amine
SMILESCCCCCCCOCCCn1ccc(N)n1
InChIInChI=1S/C13H25N3O/c1-2-3-4-5-6-11-17-12-7-9-16-10-8-13(14)15-16/h8,10H,2-7,9,11-12H2,1H3,(H2,14,15)
InChIKeyANLDVZVIGDYYKG-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.84
Rot. Bonds10

About 1-(3-heptoxypropyl)pyrazol-3-amine

1-(3-heptoxypropyl)pyrazol-3-amine (PubChem CID 63311023) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-(3-heptoxypropyl)pyrazol-3-amine.

Molecular Properties

Compound Name1-(3-heptoxypropyl)pyrazol-3-amine
PubChem CID63311023
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name1-(3-heptoxypropyl)pyrazol-3-amine
SMILESCCCCCCCOCCCn1ccc(N)n1
InChIInChI=1S/C13H25N3O/c1-2-3-4-5-6-11-17-12-7-9-16-10-8-13(14)15-16/h8,10H,2-7,9,11-12H2,1H3,(H2,14,15)
InChIKeyANLDVZVIGDYYKG-UHFFFAOYSA-N
XLogP2.84
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-octan-2-yloxyethyl)pyrazol-3-amine
CID 63316203
1-[3-(2-phenoxyethoxy)propyl]pyrazol-3-amine
CID 63311244
octyl 2-(3-aminopyrazol-1-yl)acetate
CID 62113086
1-[3-[butyl(methyl)amino]propyl]pyrazol-3-amine
CID 63310307
1-[3-(4-methylphenoxy)propyl]pyrazol-3-amine
CID 63311157
1-[3-[pentyl(propan-2-yl)amino]propyl]pyrazol-3-amine
CID 63310706
1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3-iodopyrazole
CID 104568890
1-[2-[butyl(methyl)amino]ethyl]pyrazol-3-amine
CID 63318104
1-[3-(2,3,6-trimethylphenoxy)propyl]pyrazol-3-amine
CID 63311289
3-iodo-1-octylpyrazole
CID 79787122
1-[2-(2-cyclopropylethoxy)ethyl]pyrazol-3-amine
CID 106200002
3-(3-aminopyrazol-1-yl)propan-1-ol
CID 50989707

Frequently Asked Questions

What is the IUPAC name of 1-(3-heptoxypropyl)pyrazol-3-amine?
The IUPAC name of 1-(3-heptoxypropyl)pyrazol-3-amine (CID 63311023) is 1-(3-heptoxypropyl)pyrazol-3-amine.
What is the SMILES notation for 1-(3-heptoxypropyl)pyrazol-3-amine?
The canonical SMILES for 1-(3-heptoxypropyl)pyrazol-3-amine is CCCCCCCOCCCn1ccc(N)n1.
What is the InChIKey of 1-(3-heptoxypropyl)pyrazol-3-amine?
The InChIKey is ANLDVZVIGDYYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-2-3-4-5-6-11-17-12-7-9-16-10-8-13(14)15-16/h8,10H,2-7,9,11-12H2,1H3,(H2,14,15).
What are the key properties of 1-(3-heptoxypropyl)pyrazol-3-amine?
1-(3-heptoxypropyl)pyrazol-3-amine has a molecular weight of 239.36 g/mol, XLogP of 2.84, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-heptoxypropyl)pyrazol-3-amine is sourced from PubChem (CID 63311023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).