1-(3-methoxypropyl)-N-(oxan-4-yl)pyrazol-3-amine

C12H21N3O2 — CID 71918463

IUPAC1-(3-methoxypropyl)-N-(oxan-4-yl)pyrazol-3-amine
SMILESCOCCCn1ccc(NC2CCOCC2)n1
InChIInChI=1S/C12H21N3O2/c1-16-8-2-6-15-7-3-12(14-15)13-11-4-9-17-10-5-11/h3,7,11H,2,4-6,8-10H2,1H3,(H,13,14)
InChIKeyUXTQCENDZZGBHJ-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.51
Rot. Bonds6

About 1-(3-methoxypropyl)-N-(oxan-4-yl)pyrazol-3-amine

1-(3-methoxypropyl)-N-(oxan-4-yl)pyrazol-3-amine (PubChem CID 71918463) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-(3-methoxypropyl)-N-(oxan-4-yl)pyrazol-3-amine.

Molecular Properties

Compound Name1-(3-methoxypropyl)-N-(oxan-4-yl)pyrazol-3-amine
PubChem CID71918463
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name1-(3-methoxypropyl)-N-(oxan-4-yl)pyrazol-3-amine
SMILESCOCCCn1ccc(NC2CCOCC2)n1
InChIInChI=1S/C12H21N3O2/c1-16-8-2-6-15-7-3-12(14-15)13-11-4-9-17-10-5-11/h3,7,11H,2,4-6,8-10H2,1H3,(H,13,14)
InChIKeyUXTQCENDZZGBHJ-UHFFFAOYSA-N
XLogP1.51
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropyl)-N-(oxan-4-yl)pyrazol-3-amine?
The IUPAC name of 1-(3-methoxypropyl)-N-(oxan-4-yl)pyrazol-3-amine (CID 71918463) is 1-(3-methoxypropyl)-N-(oxan-4-yl)pyrazol-3-amine.
What is the SMILES notation for 1-(3-methoxypropyl)-N-(oxan-4-yl)pyrazol-3-amine?
The canonical SMILES for 1-(3-methoxypropyl)-N-(oxan-4-yl)pyrazol-3-amine is COCCCn1ccc(NC2CCOCC2)n1.
What is the InChIKey of 1-(3-methoxypropyl)-N-(oxan-4-yl)pyrazol-3-amine?
The InChIKey is UXTQCENDZZGBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-16-8-2-6-15-7-3-12(14-15)13-11-4-9-17-10-5-11/h3,7,11H,2,4-6,8-10H2,1H3,(H,13,14).
What are the key properties of 1-(3-methoxypropyl)-N-(oxan-4-yl)pyrazol-3-amine?
1-(3-methoxypropyl)-N-(oxan-4-yl)pyrazol-3-amine has a molecular weight of 239.32 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropyl)-N-(oxan-4-yl)pyrazol-3-amine is sourced from PubChem (CID 71918463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).