1-ethyl-N-(3-piperidin-4-yloxypropyl)pyrazol-3-amine

C13H24N4O — CID 114252252

IUPAC1-ethyl-N-(3-piperidin-4-yloxypropyl)pyrazol-3-amine
SMILESCCn1ccc(NCCCOC2CCNCC2)n1
InChIInChI=1S/C13H24N4O/c1-2-17-10-6-13(16-17)15-7-3-11-18-12-4-8-14-9-5-12/h6,10,12,14H,2-5,7-9,11H2,1H3,(H,15,16)
InChIKeyRQHFYJFAXJMFHL-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.47
Rot. Bonds7

About 1-ethyl-N-(3-piperidin-4-yloxypropyl)pyrazol-3-amine

1-ethyl-N-(3-piperidin-4-yloxypropyl)pyrazol-3-amine (PubChem CID 114252252) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-ethyl-N-(3-piperidin-4-yloxypropyl)pyrazol-3-amine.

Molecular Properties

Compound Name1-ethyl-N-(3-piperidin-4-yloxypropyl)pyrazol-3-amine
PubChem CID114252252
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name1-ethyl-N-(3-piperidin-4-yloxypropyl)pyrazol-3-amine
SMILESCCn1ccc(NCCCOC2CCNCC2)n1
InChIInChI=1S/C13H24N4O/c1-2-17-10-6-13(16-17)15-7-3-11-18-12-4-8-14-9-5-12/h6,10,12,14H,2-5,7-9,11H2,1H3,(H,15,16)
InChIKeyRQHFYJFAXJMFHL-UHFFFAOYSA-N
XLogP1.47
TPSA51.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.47
H-Bond Donors ≤ 52
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-ethyl-N-(3-piperidin-4-yloxypropyl)pyrazol-3-amine?
The IUPAC name of 1-ethyl-N-(3-piperidin-4-yloxypropyl)pyrazol-3-amine (CID 114252252) is 1-ethyl-N-(3-piperidin-4-yloxypropyl)pyrazol-3-amine.
What is the SMILES notation for 1-ethyl-N-(3-piperidin-4-yloxypropyl)pyrazol-3-amine?
The canonical SMILES for 1-ethyl-N-(3-piperidin-4-yloxypropyl)pyrazol-3-amine is CCn1ccc(NCCCOC2CCNCC2)n1.
What is the InChIKey of 1-ethyl-N-(3-piperidin-4-yloxypropyl)pyrazol-3-amine?
The InChIKey is RQHFYJFAXJMFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-2-17-10-6-13(16-17)15-7-3-11-18-12-4-8-14-9-5-12/h6,10,12,14H,2-5,7-9,11H2,1H3,(H,15,16).
What are the key properties of 1-ethyl-N-(3-piperidin-4-yloxypropyl)pyrazol-3-amine?
1-ethyl-N-(3-piperidin-4-yloxypropyl)pyrazol-3-amine has a molecular weight of 252.36 g/mol, XLogP of 1.47, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(3-piperidin-4-yloxypropyl)pyrazol-3-amine is sourced from PubChem (CID 114252252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).