5-(3-methoxypropoxy)-1H-pyrazol-4-amine;dihydrochloride

C7H15Cl2N3O2 — CID 156901782

IUPAC5-(3-methoxypropoxy)-1H-pyrazol-4-amine;dihydrochloride
SMILESCOCCCOc1[nH]ncc1N.Cl.Cl
InChIInChI=1S/C7H13N3O2.2ClH/c1-11-3-2-4-12-7-6(8)5-9-10-7;;/h5H,2-4,8H2,1H3,(H,9,10);2*1H
InChIKeyZQBFSOYNUAYIQK-UHFFFAOYSA-N
MW244.12 g/mol
LogP1.25
Rot. Bonds5

About 5-(3-methoxypropoxy)-1H-pyrazol-4-amine;dihydrochloride

5-(3-methoxypropoxy)-1H-pyrazol-4-amine;dihydrochloride (PubChem CID 156901782) has the molecular formula C7H15Cl2N3O2 and a molecular weight of 244.12 g/mol. Its IUPAC name is 5-(3-methoxypropoxy)-1H-pyrazol-4-amine;dihydrochloride.

Molecular Properties

Compound Name5-(3-methoxypropoxy)-1H-pyrazol-4-amine;dihydrochloride
PubChem CID156901782
Molecular FormulaC7H15Cl2N3O2
Molecular Weight244.12 g/mol
Exact Mass243.05
IUPAC Name5-(3-methoxypropoxy)-1H-pyrazol-4-amine;dihydrochloride
SMILESCOCCCOc1[nH]ncc1N.Cl.Cl
InChIInChI=1S/C7H13N3O2.2ClH/c1-11-3-2-4-12-7-6(8)5-9-10-7;;/h5H,2-4,8H2,1H3,(H,9,10);2*1H
InChIKeyZQBFSOYNUAYIQK-UHFFFAOYSA-N
XLogP1.25
TPSA73.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.12
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 5-(3-methoxypropoxy)-1H-pyrazol-4-amine;dihydrochloride?
The IUPAC name of 5-(3-methoxypropoxy)-1H-pyrazol-4-amine;dihydrochloride (CID 156901782) is 5-(3-methoxypropoxy)-1H-pyrazol-4-amine;dihydrochloride.
What is the SMILES notation for 5-(3-methoxypropoxy)-1H-pyrazol-4-amine;dihydrochloride?
The canonical SMILES for 5-(3-methoxypropoxy)-1H-pyrazol-4-amine;dihydrochloride is COCCCOc1[nH]ncc1N.Cl.Cl.
What is the InChIKey of 5-(3-methoxypropoxy)-1H-pyrazol-4-amine;dihydrochloride?
The InChIKey is ZQBFSOYNUAYIQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2.2ClH/c1-11-3-2-4-12-7-6(8)5-9-10-7;;/h5H,2-4,8H2,1H3,(H,9,10);2*1H.
What are the key properties of 5-(3-methoxypropoxy)-1H-pyrazol-4-amine;dihydrochloride?
5-(3-methoxypropoxy)-1H-pyrazol-4-amine;dihydrochloride has a molecular weight of 244.12 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxypropoxy)-1H-pyrazol-4-amine;dihydrochloride is sourced from PubChem (CID 156901782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).