5-(3-methoxypropyl)-1H-pyrazol-3-amine

C7H13N3O — CID 45121235

IUPAC5-(3-methoxypropyl)-1H-pyrazol-3-amine
SMILESCOCCCc1cc(N)n[nH]1
InChIInChI=1S/C7H13N3O/c1-11-4-2-3-6-5-7(8)10-9-6/h5H,2-4H2,1H3,(H3,8,9,10)
InChIKeyOCLGUPNHPOAEBD-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.57
Rot. Bonds4

About 5-(3-methoxypropyl)-1H-pyrazol-3-amine

5-(3-methoxypropyl)-1H-pyrazol-3-amine (PubChem CID 45121235) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is 5-(3-methoxypropyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(3-methoxypropyl)-1H-pyrazol-3-amine
PubChem CID45121235
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name5-(3-methoxypropyl)-1H-pyrazol-3-amine
SMILESCOCCCc1cc(N)n[nH]1
InChIInChI=1S/C7H13N3O/c1-11-4-2-3-6-5-7(8)10-9-6/h5H,2-4H2,1H3,(H3,8,9,10)
InChIKeyOCLGUPNHPOAEBD-UHFFFAOYSA-N
XLogP0.57
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.57
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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Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxypropyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(3-methoxypropyl)-1H-pyrazol-3-amine (CID 45121235) is 5-(3-methoxypropyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(3-methoxypropyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(3-methoxypropyl)-1H-pyrazol-3-amine is COCCCc1cc(N)n[nH]1.
What is the InChIKey of 5-(3-methoxypropyl)-1H-pyrazol-3-amine?
The InChIKey is OCLGUPNHPOAEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O/c1-11-4-2-3-6-5-7(8)10-9-6/h5H,2-4H2,1H3,(H3,8,9,10).
What are the key properties of 5-(3-methoxypropyl)-1H-pyrazol-3-amine?
5-(3-methoxypropyl)-1H-pyrazol-3-amine has a molecular weight of 155.20 g/mol, XLogP of 0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxypropyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 45121235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).