5-[[4-(3-morpholin-4-ylpropoxy)phenyl]methyl]-1H-pyrazol-3-amine

C17H24N4O2 — CID 22241640

IUPAC5-[[4-(3-morpholin-4-ylpropoxy)phenyl]methyl]-1H-pyrazol-3-amine
SMILESNc1cc(Cc2ccc(OCCCN3CCOCC3)cc2)[nH]n1
InChIInChI=1S/C17H24N4O2/c18-17-13-15(19-20-17)12-14-2-4-16(5-3-14)23-9-1-6-21-7-10-22-11-8-21/h2-5,13H,1,6-12H2,(H3,18,19,20)
InChIKeyPGGLTEVHDLMSOV-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.68
Rot. Bonds7

About 5-[[4-(3-morpholin-4-ylpropoxy)phenyl]methyl]-1H-pyrazol-3-amine

5-[[4-(3-morpholin-4-ylpropoxy)phenyl]methyl]-1H-pyrazol-3-amine (PubChem CID 22241640) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is 5-[[4-(3-morpholin-4-ylpropoxy)phenyl]methyl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-[[4-(3-morpholin-4-ylpropoxy)phenyl]methyl]-1H-pyrazol-3-amine
PubChem CID22241640
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC Name5-[[4-(3-morpholin-4-ylpropoxy)phenyl]methyl]-1H-pyrazol-3-amine
SMILESNc1cc(Cc2ccc(OCCCN3CCOCC3)cc2)[nH]n1
InChIInChI=1S/C17H24N4O2/c18-17-13-15(19-20-17)12-14-2-4-16(5-3-14)23-9-1-6-21-7-10-22-11-8-21/h2-5,13H,1,6-12H2,(H3,18,19,20)
InChIKeyPGGLTEVHDLMSOV-UHFFFAOYSA-N
XLogP1.68
TPSA76.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.68
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 5-[[4-(3-morpholin-4-ylpropoxy)phenyl]methyl]-1H-pyrazol-3-amine?
The IUPAC name of 5-[[4-(3-morpholin-4-ylpropoxy)phenyl]methyl]-1H-pyrazol-3-amine (CID 22241640) is 5-[[4-(3-morpholin-4-ylpropoxy)phenyl]methyl]-1H-pyrazol-3-amine.
What is the SMILES notation for 5-[[4-(3-morpholin-4-ylpropoxy)phenyl]methyl]-1H-pyrazol-3-amine?
The canonical SMILES for 5-[[4-(3-morpholin-4-ylpropoxy)phenyl]methyl]-1H-pyrazol-3-amine is Nc1cc(Cc2ccc(OCCCN3CCOCC3)cc2)[nH]n1.
What is the InChIKey of 5-[[4-(3-morpholin-4-ylpropoxy)phenyl]methyl]-1H-pyrazol-3-amine?
The InChIKey is PGGLTEVHDLMSOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c18-17-13-15(19-20-17)12-14-2-4-16(5-3-14)23-9-1-6-21-7-10-22-11-8-21/h2-5,13H,1,6-12H2,(H3,18,19,20).
What are the key properties of 5-[[4-(3-morpholin-4-ylpropoxy)phenyl]methyl]-1H-pyrazol-3-amine?
5-[[4-(3-morpholin-4-ylpropoxy)phenyl]methyl]-1H-pyrazol-3-amine has a molecular weight of 316.40 g/mol, XLogP of 1.68, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(3-morpholin-4-ylpropoxy)phenyl]methyl]-1H-pyrazol-3-amine is sourced from PubChem (CID 22241640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).