N,N-dimethyl-4-[[2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-yl]iminomethyl]aniline

C19H19F3N4 — CID 3924504

IUPACN,N-dimethyl-4-[[2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-yl]iminomethyl]aniline
SMILESCN(C)c1ccc(/C=N/C2=NN(c3cccc(C(F)(F)F)c3)CC2)cc1
InChIInChI=1S/C19H19F3N4/c1-25(2)16-8-6-14(7-9-16)13-23-18-10-11-26(24-18)17-5-3-4-15(12-17)19(20,21)22/h3-9,12-13H,10-11H2,1-2H3/b23-13+
InChIKeyHOCGOCFHALUXPA-YDZHTSKRSA-N
MW360.38 g/mol
LogP4.41
Rot. Bonds3

About N,N-dimethyl-4-[[2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-yl]iminomethyl]aniline

N,N-dimethyl-4-[[2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-yl]iminomethyl]aniline (PubChem CID 3924504) has the molecular formula C19H19F3N4 and a molecular weight of 360.38 g/mol. Its IUPAC name is N,N-dimethyl-4-[[2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-yl]iminomethyl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[[2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-yl]iminomethyl]aniline
PubChem CID3924504
Molecular FormulaC19H19F3N4
Molecular Weight360.38 g/mol
Exact Mass360.16
IUPAC NameN,N-dimethyl-4-[[2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-yl]iminomethyl]aniline
SMILESCN(C)c1ccc(/C=N/C2=NN(c3cccc(C(F)(F)F)c3)CC2)cc1
InChIInChI=1S/C19H19F3N4/c1-25(2)16-8-6-14(7-9-16)13-23-18-10-11-26(24-18)17-5-3-4-15(12-17)19(20,21)22/h3-9,12-13H,10-11H2,1-2H3/b23-13+
InChIKeyHOCGOCFHALUXPA-YDZHTSKRSA-N
XLogP4.41
TPSA31.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[[2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-yl]iminomethyl]aniline?
The IUPAC name of N,N-dimethyl-4-[[2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-yl]iminomethyl]aniline (CID 3924504) is N,N-dimethyl-4-[[2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-yl]iminomethyl]aniline.
What is the SMILES notation for N,N-dimethyl-4-[[2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-yl]iminomethyl]aniline?
The canonical SMILES for N,N-dimethyl-4-[[2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-yl]iminomethyl]aniline is CN(C)c1ccc(/C=N/C2=NN(c3cccc(C(F)(F)F)c3)CC2)cc1.
What is the InChIKey of N,N-dimethyl-4-[[2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-yl]iminomethyl]aniline?
The InChIKey is HOCGOCFHALUXPA-YDZHTSKRSA-N. The full InChI is InChI=1S/C19H19F3N4/c1-25(2)16-8-6-14(7-9-16)13-23-18-10-11-26(24-18)17-5-3-4-15(12-17)19(20,21)22/h3-9,12-13H,10-11H2,1-2H3/b23-13+.
What are the key properties of N,N-dimethyl-4-[[2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-yl]iminomethyl]aniline?
N,N-dimethyl-4-[[2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-yl]iminomethyl]aniline has a molecular weight of 360.38 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[[2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-yl]iminomethyl]aniline is sourced from PubChem (CID 3924504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).