4-[[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]diazenyl]-1H-pyrazole-3,5-diamine

C14H18FN7O — CID 135457038

IUPAC4-[[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]diazenyl]-1H-pyrazole-3,5-diamine
SMILESNc1n[nH]c(N)c1/N=N/c1ccc(CN2CCOCC2)c(F)c1
InChIInChI=1S/C14H18FN7O/c15-11-7-10(18-19-12-13(16)20-21-14(12)17)2-1-9(11)8-22-3-5-23-6-4-22/h1-2,7H,3-6,8H2,(H5,16,17,20,21)/b19-18+
InChIKeyJKLGQYAMMUSMOF-VHEBQXMUSA-N
MW319.34 g/mol
LogP1.96
Rot. Bonds4

About 4-[[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]diazenyl]-1H-pyrazole-3,5-diamine

4-[[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]diazenyl]-1H-pyrazole-3,5-diamine (PubChem CID 135457038) has the molecular formula C14H18FN7O and a molecular weight of 319.34 g/mol. Its IUPAC name is 4-[[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]diazenyl]-1H-pyrazole-3,5-diamine.

Molecular Properties

Compound Name4-[[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]diazenyl]-1H-pyrazole-3,5-diamine
PubChem CID135457038
Molecular FormulaC14H18FN7O
Molecular Weight319.34 g/mol
Exact Mass319.16
IUPAC Name4-[[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]diazenyl]-1H-pyrazole-3,5-diamine
SMILESNc1n[nH]c(N)c1/N=N/c1ccc(CN2CCOCC2)c(F)c1
InChIInChI=1S/C14H18FN7O/c15-11-7-10(18-19-12-13(16)20-21-14(12)17)2-1-9(11)8-22-3-5-23-6-4-22/h1-2,7H,3-6,8H2,(H5,16,17,20,21)/b19-18+
InChIKeyJKLGQYAMMUSMOF-VHEBQXMUSA-N
XLogP1.96
TPSA117.91 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]diazenyl]-1H-pyrazole-3,5-diamine?
The IUPAC name of 4-[[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]diazenyl]-1H-pyrazole-3,5-diamine (CID 135457038) is 4-[[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]diazenyl]-1H-pyrazole-3,5-diamine.
What is the SMILES notation for 4-[[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]diazenyl]-1H-pyrazole-3,5-diamine?
The canonical SMILES for 4-[[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]diazenyl]-1H-pyrazole-3,5-diamine is Nc1n[nH]c(N)c1/N=N/c1ccc(CN2CCOCC2)c(F)c1.
What is the InChIKey of 4-[[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]diazenyl]-1H-pyrazole-3,5-diamine?
The InChIKey is JKLGQYAMMUSMOF-VHEBQXMUSA-N. The full InChI is InChI=1S/C14H18FN7O/c15-11-7-10(18-19-12-13(16)20-21-14(12)17)2-1-9(11)8-22-3-5-23-6-4-22/h1-2,7H,3-6,8H2,(H5,16,17,20,21)/b19-18+.
What are the key properties of 4-[[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]diazenyl]-1H-pyrazole-3,5-diamine?
4-[[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]diazenyl]-1H-pyrazole-3,5-diamine has a molecular weight of 319.34 g/mol, XLogP of 1.96, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]diazenyl]-1H-pyrazole-3,5-diamine is sourced from PubChem (CID 135457038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).