3-methoxy-1-(3-methoxypropyl)pyrazol-4-amine

C8H15N3O2 — CID 118365647

IUPAC3-methoxy-1-(3-methoxypropyl)pyrazol-4-amine
SMILESCOCCCn1cc(N)c(OC)n1
InChIInChI=1S/C8H15N3O2/c1-12-5-3-4-11-6-7(9)8(10-11)13-2/h6H,3-5,9H2,1-2H3
InChIKeyDSVMLQZHDAQIGW-UHFFFAOYSA-N
MW185.23 g/mol
LogP0.51
Rot. Bonds5

About 3-methoxy-1-(3-methoxypropyl)pyrazol-4-amine

3-methoxy-1-(3-methoxypropyl)pyrazol-4-amine (PubChem CID 118365647) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is 3-methoxy-1-(3-methoxypropyl)pyrazol-4-amine.

Molecular Properties

Compound Name3-methoxy-1-(3-methoxypropyl)pyrazol-4-amine
PubChem CID118365647
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC Name3-methoxy-1-(3-methoxypropyl)pyrazol-4-amine
SMILESCOCCCn1cc(N)c(OC)n1
InChIInChI=1S/C8H15N3O2/c1-12-5-3-4-11-6-7(9)8(10-11)13-2/h6H,3-5,9H2,1-2H3
InChIKeyDSVMLQZHDAQIGW-UHFFFAOYSA-N
XLogP0.51
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 50.51
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 3-methoxy-1-(3-methoxypropyl)pyrazol-4-amine?
The IUPAC name of 3-methoxy-1-(3-methoxypropyl)pyrazol-4-amine (CID 118365647) is 3-methoxy-1-(3-methoxypropyl)pyrazol-4-amine.
What is the SMILES notation for 3-methoxy-1-(3-methoxypropyl)pyrazol-4-amine?
The canonical SMILES for 3-methoxy-1-(3-methoxypropyl)pyrazol-4-amine is COCCCn1cc(N)c(OC)n1.
What is the InChIKey of 3-methoxy-1-(3-methoxypropyl)pyrazol-4-amine?
The InChIKey is DSVMLQZHDAQIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2/c1-12-5-3-4-11-6-7(9)8(10-11)13-2/h6H,3-5,9H2,1-2H3.
What are the key properties of 3-methoxy-1-(3-methoxypropyl)pyrazol-4-amine?
3-methoxy-1-(3-methoxypropyl)pyrazol-4-amine has a molecular weight of 185.23 g/mol, XLogP of 0.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-(3-methoxypropyl)pyrazol-4-amine is sourced from PubChem (CID 118365647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).