4-methoxy-N-methyl-N-[3-(2-methylphenoxy)propyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide

C23H24F3N3O3 — CID 55897553

IUPAC4-methoxy-N-methyl-N-[3-(2-methylphenoxy)propyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
SMILESCOc1cn(-c2cccc(C(F)(F)F)c2)nc1C(=O)N(C)CCCOc1ccccc1C
InChIInChI=1S/C23H24F3N3O3/c1-16-8-4-5-11-19(16)32-13-7-12-28(2)22(30)21-20(31-3)15-29(27-21)18-10-6-9-17(14-18)23(24,25)26/h4-6,8-11,14-15H,7,12-13H2,1-3H3
InChIKeyRIFLFSVMHBZSGN-UHFFFAOYSA-N
MW447.46 g/mol
LogP4.75
Rot. Bonds8

About 4-methoxy-N-methyl-N-[3-(2-methylphenoxy)propyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide

4-methoxy-N-methyl-N-[3-(2-methylphenoxy)propyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide (PubChem CID 55897553) has the molecular formula C23H24F3N3O3 and a molecular weight of 447.46 g/mol. Its IUPAC name is 4-methoxy-N-methyl-N-[3-(2-methylphenoxy)propyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-methyl-N-[3-(2-methylphenoxy)propyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
PubChem CID55897553
Molecular FormulaC23H24F3N3O3
Molecular Weight447.46 g/mol
Exact Mass447.18
IUPAC Name4-methoxy-N-methyl-N-[3-(2-methylphenoxy)propyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
SMILESCOc1cn(-c2cccc(C(F)(F)F)c2)nc1C(=O)N(C)CCCOc1ccccc1C
InChIInChI=1S/C23H24F3N3O3/c1-16-8-4-5-11-19(16)32-13-7-12-28(2)22(30)21-20(31-3)15-29(27-21)18-10-6-9-17(14-18)23(24,25)26/h4-6,8-11,14-15H,7,12-13H2,1-3H3
InChIKeyRIFLFSVMHBZSGN-UHFFFAOYSA-N
XLogP4.75
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.46
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethoxyphenyl)-4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 24624365
[2-[benzyl(methyl)amino]-2-oxoethyl] 4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxylate
CID 55511006
N-[(2,4-dimethoxyphenyl)methyl]-4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 55577176
N-[4-(diethylcarbamoyl)phenyl]-4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 24622491
5-fluoro-2-methoxy-N-methyl-N-[3-(2-methylphenoxy)propyl]benzamide
CID 55897554
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]methanone
CID 56807375
(4-chlorophenyl)methyl 4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxylate
CID 18272683
N-[4-(ethylcarbamoyl)phenyl]-4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 55802087
4-methoxy-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 55613810
4-methoxy-N-prop-2-enyl-N-(thiophen-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 55509727
methyl 2-[[4-[[4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]amino]benzoyl]amino]acetate
CID 55509890
N-(2-tert-butyl-5-methylpyrazol-3-yl)-4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 55795979

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-methyl-N-[3-(2-methylphenoxy)propyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide?
The IUPAC name of 4-methoxy-N-methyl-N-[3-(2-methylphenoxy)propyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide (CID 55897553) is 4-methoxy-N-methyl-N-[3-(2-methylphenoxy)propyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 4-methoxy-N-methyl-N-[3-(2-methylphenoxy)propyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 4-methoxy-N-methyl-N-[3-(2-methylphenoxy)propyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide is COc1cn(-c2cccc(C(F)(F)F)c2)nc1C(=O)N(C)CCCOc1ccccc1C.
What is the InChIKey of 4-methoxy-N-methyl-N-[3-(2-methylphenoxy)propyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide?
The InChIKey is RIFLFSVMHBZSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N3O3/c1-16-8-4-5-11-19(16)32-13-7-12-28(2)22(30)21-20(31-3)15-29(27-21)18-10-6-9-17(14-18)23(24,25)26/h4-6,8-11,14-15H,7,12-13H2,1-3H3.
What are the key properties of 4-methoxy-N-methyl-N-[3-(2-methylphenoxy)propyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide?
4-methoxy-N-methyl-N-[3-(2-methylphenoxy)propyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide has a molecular weight of 447.46 g/mol, XLogP of 4.75, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-methyl-N-[3-(2-methylphenoxy)propyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 55897553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).