1-(4-methoxyphenyl)-N-[2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-yl]methanimine

C18H16F3N3O — CID 748143

IUPAC1-(4-methoxyphenyl)-N-[2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-yl]methanimine
SMILESCOc1ccc(/C=N/C2=NN(c3cccc(C(F)(F)F)c3)CC2)cc1
InChIInChI=1S/C18H16F3N3O/c1-25-16-7-5-13(6-8-16)12-22-17-9-10-24(23-17)15-4-2-3-14(11-15)18(19,20)21/h2-8,11-12H,9-10H2,1H3/b22-12+
InChIKeyUGUKPONAMGPFML-WSDLNYQXSA-N
MW347.34 g/mol
LogP4.36
Rot. Bonds3

About 1-(4-methoxyphenyl)-N-[2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-yl]methanimine

1-(4-methoxyphenyl)-N-[2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-yl]methanimine (PubChem CID 748143) has the molecular formula C18H16F3N3O and a molecular weight of 347.34 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-[2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-yl]methanimine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-[2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-yl]methanimine
PubChem CID748143
Molecular FormulaC18H16F3N3O
Molecular Weight347.34 g/mol
Exact Mass347.12
IUPAC Name1-(4-methoxyphenyl)-N-[2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-yl]methanimine
SMILESCOc1ccc(/C=N/C2=NN(c3cccc(C(F)(F)F)c3)CC2)cc1
InChIInChI=1S/C18H16F3N3O/c1-25-16-7-5-13(6-8-16)12-22-17-9-10-24(23-17)15-4-2-3-14(11-15)18(19,20)21/h2-8,11-12H,9-10H2,1H3/b22-12+
InChIKeyUGUKPONAMGPFML-WSDLNYQXSA-N
XLogP4.36
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-N'-[2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-yl]methanimidamide
CID 2843464
5-methyl-2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazole
CID 142916061
1-phenyl-N-(2-phenyl-3,4-dihydropyrazol-5-yl)methanimine
CID 830683
1-(4-methoxyphenyl)-N-[3-[(4-methoxyphenyl)methylideneamino]phenyl]methanimine
CID 18527961
3-(4-fluorophenyl)-5-(4-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazole
CID 51362120
N-ethyl-N-[2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-yl]acetamide
CID 70516275
3-(4-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]prop-2-en-1-one
CID 75849829
[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl] 4-methoxybenzoate
CID 55397563
1-[(Z)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]ethenyl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 92909735
(2R,6R,7S)-7-(4-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]-1,4,8-triazatricyclo[6.3.0.02,6]undecane-3,5-dione
CID 98168461
(5Z)-5-[(4-methoxyphenyl)methylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
CID 1354925
7-[(4-methoxyphenyl)methylidene]-3-[3-(trifluoromethyl)phenyl]-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
CID 3541314

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-[2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-yl]methanimine?
The IUPAC name of 1-(4-methoxyphenyl)-N-[2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-yl]methanimine (CID 748143) is 1-(4-methoxyphenyl)-N-[2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-yl]methanimine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-[2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-yl]methanimine?
The canonical SMILES for 1-(4-methoxyphenyl)-N-[2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-yl]methanimine is COc1ccc(/C=N/C2=NN(c3cccc(C(F)(F)F)c3)CC2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-[2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-yl]methanimine?
The InChIKey is UGUKPONAMGPFML-WSDLNYQXSA-N. The full InChI is InChI=1S/C18H16F3N3O/c1-25-16-7-5-13(6-8-16)12-22-17-9-10-24(23-17)15-4-2-3-14(11-15)18(19,20)21/h2-8,11-12H,9-10H2,1H3/b22-12+.
What are the key properties of 1-(4-methoxyphenyl)-N-[2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-yl]methanimine?
1-(4-methoxyphenyl)-N-[2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-yl]methanimine has a molecular weight of 347.34 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-[2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-yl]methanimine is sourced from PubChem (CID 748143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).