1-[4-(1-fluoroethenyl)-1-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)pyrazol-5-yl]-2-hydrazinylideneethanone

C16H14F4N4O2 — CID 148603618

IUPAC1-[4-(1-fluoroethenyl)-1-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)pyrazol-5-yl]-2-hydrazinylideneethanone
SMILESC=C(F)c1c(C(F)(F)F)nn(Cc2ccc(OC)cc2)c1C(=O)C=NN
InChIInChI=1S/C16H14F4N4O2/c1-9(17)13-14(12(25)7-22-21)24(23-15(13)16(18,19)20)8-10-3-5-11(26-2)6-4-10/h3-7H,1,8,21H2,2H3
InChIKeyKZZDGOGLGDFGPD-UHFFFAOYSA-N
MW370.31 g/mol
LogP3.03
Rot. Bonds6

About 1-[4-(1-fluoroethenyl)-1-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)pyrazol-5-yl]-2-hydrazinylideneethanone

1-[4-(1-fluoroethenyl)-1-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)pyrazol-5-yl]-2-hydrazinylideneethanone (PubChem CID 148603618) has the molecular formula C16H14F4N4O2 and a molecular weight of 370.31 g/mol. Its IUPAC name is 1-[4-(1-fluoroethenyl)-1-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)pyrazol-5-yl]-2-hydrazinylideneethanone.

Molecular Properties

Compound Name1-[4-(1-fluoroethenyl)-1-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)pyrazol-5-yl]-2-hydrazinylideneethanone
PubChem CID148603618
Molecular FormulaC16H14F4N4O2
Molecular Weight370.31 g/mol
Exact Mass370.11
IUPAC Name1-[4-(1-fluoroethenyl)-1-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)pyrazol-5-yl]-2-hydrazinylideneethanone
SMILESC=C(F)c1c(C(F)(F)F)nn(Cc2ccc(OC)cc2)c1C(=O)C=NN
InChIInChI=1S/C16H14F4N4O2/c1-9(17)13-14(12(25)7-22-21)24(23-15(13)16(18,19)20)8-10-3-5-11(26-2)6-4-10/h3-7H,1,8,21H2,2H3
InChIKeyKZZDGOGLGDFGPD-UHFFFAOYSA-N
XLogP3.03
TPSA82.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.31
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2'-fluoro-7'-[(4-methoxyphenyl)methyl]-9'-(trifluoromethyl)spiro[1,3-dithiolane-2,5'-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene]
CID 86719887
1'-[(4-methoxyphenyl)methyl]-3'-(trifluoromethyl)spiro[1,3-dioxole-2,4'-5,6-dihydrocyclopenta[c]pyrazole]-5'-ol
CID 171780646
1-[4-bromo-1-[(4-methoxyphenyl)methyl]-3-methylpyrazol-5-yl]ethanone
CID 90162740
methyl 5-[1-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)-5,6-dihydro-4H-pyrazolo[5,4-b]pyridin-7-yl]-2-methylidenepentanoate
CID 170619532
(2S,4R)-7-[(4-methoxyphenyl)methyl]-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-one
CID 139533047
1-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)triazole-4-carboxylic acid
CID 102642733
N-[(4-methoxyphenyl)methyl]-3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 9208102
1-[(4-methoxyphenyl)methyl]-4-nitro-3-(trifluoromethyl)pyrazole
CID 118678592
[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-[1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazol-5-yl]methanone
CID 29097491
N-(4-methoxyphenyl)-6-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridazine-3-carboxamide
CID 41247941
[1-[1-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)pyrazol-5-yl]-2,2-dimethylpropyl]carbamic acid
CID 66890824
6,7-difluoro-4-N-[1-[(4-methoxyphenyl)methyl]-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]quinoline-2,4-dicarboxamide
CID 118172340

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-fluoroethenyl)-1-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)pyrazol-5-yl]-2-hydrazinylideneethanone?
The IUPAC name of 1-[4-(1-fluoroethenyl)-1-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)pyrazol-5-yl]-2-hydrazinylideneethanone (CID 148603618) is 1-[4-(1-fluoroethenyl)-1-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)pyrazol-5-yl]-2-hydrazinylideneethanone.
What is the SMILES notation for 1-[4-(1-fluoroethenyl)-1-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)pyrazol-5-yl]-2-hydrazinylideneethanone?
The canonical SMILES for 1-[4-(1-fluoroethenyl)-1-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)pyrazol-5-yl]-2-hydrazinylideneethanone is C=C(F)c1c(C(F)(F)F)nn(Cc2ccc(OC)cc2)c1C(=O)C=NN.
What is the InChIKey of 1-[4-(1-fluoroethenyl)-1-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)pyrazol-5-yl]-2-hydrazinylideneethanone?
The InChIKey is KZZDGOGLGDFGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F4N4O2/c1-9(17)13-14(12(25)7-22-21)24(23-15(13)16(18,19)20)8-10-3-5-11(26-2)6-4-10/h3-7H,1,8,21H2,2H3.
What are the key properties of 1-[4-(1-fluoroethenyl)-1-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)pyrazol-5-yl]-2-hydrazinylideneethanone?
1-[4-(1-fluoroethenyl)-1-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)pyrazol-5-yl]-2-hydrazinylideneethanone has a molecular weight of 370.31 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-fluoroethenyl)-1-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)pyrazol-5-yl]-2-hydrazinylideneethanone is sourced from PubChem (CID 148603618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).