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

C15H18F3N7O — CID 135433017

IUPAC4-[[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]diazenyl]-1H-pyrazole-3,5-diamine
SMILESNc1n[nH]c(N)c1/N=N/c1cc(CN2CCOCC2)cc(C(F)(F)F)c1
InChIInChI=1S/C15H18F3N7O/c16-15(17,18)10-5-9(8-25-1-3-26-4-2-25)6-11(7-10)21-22-12-13(19)23-24-14(12)20/h5-7H,1-4,8H2,(H5,19,20,23,24)/b22-21+
InChIKeyMJCRAZQHWOWFGF-QURGRASLSA-N
MW369.35 g/mol
LogP2.84
Rot. Bonds4

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

4-[[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]diazenyl]-1H-pyrazole-3,5-diamine (PubChem CID 135433017) has the molecular formula C15H18F3N7O and a molecular weight of 369.35 g/mol. Its IUPAC name is 4-[[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]diazenyl]-1H-pyrazole-3,5-diamine.

Molecular Properties

Compound Name4-[[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]diazenyl]-1H-pyrazole-3,5-diamine
PubChem CID135433017
Molecular FormulaC15H18F3N7O
Molecular Weight369.35 g/mol
Exact Mass369.15
IUPAC Name4-[[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]diazenyl]-1H-pyrazole-3,5-diamine
SMILESNc1n[nH]c(N)c1/N=N/c1cc(CN2CCOCC2)cc(C(F)(F)F)c1
InChIInChI=1S/C15H18F3N7O/c16-15(17,18)10-5-9(8-25-1-3-26-4-2-25)6-11(7-10)21-22-12-13(19)23-24-14(12)20/h5-7H,1-4,8H2,(H5,19,20,23,24)/b22-21+
InChIKeyMJCRAZQHWOWFGF-QURGRASLSA-N
XLogP2.84
TPSA117.91 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.35
LogP ≤ 52.84
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-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]diazenyl]-1H-pyrazole-3,5-diamine?
The IUPAC name of 4-[[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]diazenyl]-1H-pyrazole-3,5-diamine (CID 135433017) is 4-[[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]diazenyl]-1H-pyrazole-3,5-diamine.
What is the SMILES notation for 4-[[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]diazenyl]-1H-pyrazole-3,5-diamine?
The canonical SMILES for 4-[[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]diazenyl]-1H-pyrazole-3,5-diamine is Nc1n[nH]c(N)c1/N=N/c1cc(CN2CCOCC2)cc(C(F)(F)F)c1.
What is the InChIKey of 4-[[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]diazenyl]-1H-pyrazole-3,5-diamine?
The InChIKey is MJCRAZQHWOWFGF-QURGRASLSA-N. The full InChI is InChI=1S/C15H18F3N7O/c16-15(17,18)10-5-9(8-25-1-3-26-4-2-25)6-11(7-10)21-22-12-13(19)23-24-14(12)20/h5-7H,1-4,8H2,(H5,19,20,23,24)/b22-21+.
What are the key properties of 4-[[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]diazenyl]-1H-pyrazole-3,5-diamine?
4-[[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]diazenyl]-1H-pyrazole-3,5-diamine has a molecular weight of 369.35 g/mol, XLogP of 2.84, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]diazenyl]-1H-pyrazole-3,5-diamine is sourced from PubChem (CID 135433017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).