[5-[2-(4-fluorophenyl)pyrazol-3-yl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-3-pyridinyl] N-methylcarbamate

C24H18F4N4O3 — CID 68530283

IUPAC[5-[2-(4-fluorophenyl)pyrazol-3-yl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-3-pyridinyl] N-methylcarbamate
SMILESCNC(=O)Oc1cc(-c2ccnn2-c2ccc(F)cc2)c(C)n(-c2cccc(C(F)(F)F)c2)c1=O
InChIInChI=1S/C24H18F4N4O3/c1-14-19(20-10-11-30-32(20)17-8-6-16(25)7-9-17)13-21(35-23(34)29-2)22(33)31(14)18-5-3-4-15(12-18)24(26,27)28/h3-13H,1-2H3,(H,29,34)
InChIKeySQZIWAGVYCLEFM-UHFFFAOYSA-N
MW486.43 g/mol
LogP4.87
Rot. Bonds4

About [5-[2-(4-fluorophenyl)pyrazol-3-yl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-3-pyridinyl] N-methylcarbamate

[5-[2-(4-fluorophenyl)pyrazol-3-yl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-3-pyridinyl] N-methylcarbamate (PubChem CID 68530283) has the molecular formula C24H18F4N4O3 and a molecular weight of 486.43 g/mol. Its IUPAC name is [5-[2-(4-fluorophenyl)pyrazol-3-yl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-3-pyridinyl] N-methylcarbamate.

Molecular Properties

Compound Name[5-[2-(4-fluorophenyl)pyrazol-3-yl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-3-pyridinyl] N-methylcarbamate
PubChem CID68530283
Molecular FormulaC24H18F4N4O3
Molecular Weight486.43 g/mol
Exact Mass486.13
IUPAC Name[5-[2-(4-fluorophenyl)pyrazol-3-yl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-3-pyridinyl] N-methylcarbamate
SMILESCNC(=O)Oc1cc(-c2ccnn2-c2ccc(F)cc2)c(C)n(-c2cccc(C(F)(F)F)c2)c1=O
InChIInChI=1S/C24H18F4N4O3/c1-14-19(20-10-11-30-32(20)17-8-6-16(25)7-9-17)13-21(35-23(34)29-2)22(33)31(14)18-5-3-4-15(12-18)24(26,27)28/h3-13H,1-2H3,(H,29,34)
InChIKeySQZIWAGVYCLEFM-UHFFFAOYSA-N
XLogP4.87
TPSA78.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.43
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-[2-(4-fluorophenyl)pyrazol-3-yl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-3-pyridinyl] N-methylcarbamate?
The IUPAC name of [5-[2-(4-fluorophenyl)pyrazol-3-yl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-3-pyridinyl] N-methylcarbamate (CID 68530283) is [5-[2-(4-fluorophenyl)pyrazol-3-yl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-3-pyridinyl] N-methylcarbamate.
What is the SMILES notation for [5-[2-(4-fluorophenyl)pyrazol-3-yl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-3-pyridinyl] N-methylcarbamate?
The canonical SMILES for [5-[2-(4-fluorophenyl)pyrazol-3-yl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-3-pyridinyl] N-methylcarbamate is CNC(=O)Oc1cc(-c2ccnn2-c2ccc(F)cc2)c(C)n(-c2cccc(C(F)(F)F)c2)c1=O.
What is the InChIKey of [5-[2-(4-fluorophenyl)pyrazol-3-yl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-3-pyridinyl] N-methylcarbamate?
The InChIKey is SQZIWAGVYCLEFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F4N4O3/c1-14-19(20-10-11-30-32(20)17-8-6-16(25)7-9-17)13-21(35-23(34)29-2)22(33)31(14)18-5-3-4-15(12-18)24(26,27)28/h3-13H,1-2H3,(H,29,34).
What are the key properties of [5-[2-(4-fluorophenyl)pyrazol-3-yl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-3-pyridinyl] N-methylcarbamate?
[5-[2-(4-fluorophenyl)pyrazol-3-yl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-3-pyridinyl] N-methylcarbamate has a molecular weight of 486.43 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-(4-fluorophenyl)pyrazol-3-yl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-3-pyridinyl] N-methylcarbamate is sourced from PubChem (CID 68530283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).