Molecule

1-[(3,5-difluorophenyl)methyl]-5-[(E)-[di(propan-2-yl)amino]diazenyl]pyrazole-4-carbonitrile

Chemical Information

Molecular Image

InChI	InChI=1S/C17H20F2N6/c1-11(2)25(12(3)4)23-22-17-14(8-20)9-21-24(17)10-13-5-15(18)7-16(19)6-13/h5-7,9,11-12H,10H2,1-4H3/b23-22+
SMILES	CC(N(C(C)C)/N=N/c1n(ncc1C#N)Cc1cc(F)cc(c1)F)C
InChI Key	ZFEWCQZPKGQXCJ-GHVJWSGMSA-N
Exact Mass	346.378 g/mol

17 Related Dataset(s) ⌄

13C nuclear magnetic resonance spectroscopy (13C NMR)

13C nuclear magnetic resonance spectroscopy (13C NMR)

19F nuclear magnetic resonance spectroscopy (19F NMR)

1H nuclear magnetic resonance spectroscopy (1H NMR)

1H nuclear magnetic resonance spectroscopy (1H NMR)

distortionless enhancement with polarization transfer (DEPT)

distortionless enhancement with polarization transfer (DEPT)

distortionless enhancement with polarization transfer (DEPT)

distortionless enhancement with polarization transfer (DEPT)

electron ionisation mass spectrometry (EI-MS)

heteronuclear multiple bond coherence (HMBC)

heteronuclear single quantum coherence (HSQC)

infrared absorption spectroscopy (IR)

infrared absorption spectroscopy (IR)

mass spectrometry (MS)

process

X-ray diffraction (XRD)

Metadata Information

Field	Value
NFDI4Chem Molecule ID	nfdi4chem-mol6324
Source
Alternate Name

Field	Value
No additional information available for this Dataset.

Data-Source Molecule ID	Data-Source
155928572	pubchem
MARZEO	CCDC
The data in this table is sourced from UniChem at EBI.