N-(2,4-dimethylphenyl)-3-[(4-fluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]pyrazole-4-carboxamide

C26H23F2N3O2 — CID 16925798

IUPACN-(2,4-dimethylphenyl)-3-[(4-fluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]pyrazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2cn(Cc3ccc(F)cc3)nc2OCc2ccc(F)cc2)c(C)c1
InChIInChI=1S/C26H23F2N3O2/c1-17-3-12-24(18(2)13-17)29-25(32)23-15-31(14-19-4-8-21(27)9-5-19)30-26(23)33-16-20-6-10-22(28)11-7-20/h3-13,15H,14,16H2,1-2H3,(H,29,32)
InChIKeyUTVKVEQTVWJLPL-UHFFFAOYSA-N
MW447.49 g/mol
LogP5.66
Rot. Bonds7

About N-(2,4-dimethylphenyl)-3-[(4-fluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]pyrazole-4-carboxamide

N-(2,4-dimethylphenyl)-3-[(4-fluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]pyrazole-4-carboxamide (PubChem CID 16925798) has the molecular formula C26H23F2N3O2 and a molecular weight of 447.49 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-3-[(4-fluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-3-[(4-fluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]pyrazole-4-carboxamide
PubChem CID16925798
Molecular FormulaC26H23F2N3O2
Molecular Weight447.49 g/mol
Exact Mass447.18
IUPAC NameN-(2,4-dimethylphenyl)-3-[(4-fluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]pyrazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2cn(Cc3ccc(F)cc3)nc2OCc2ccc(F)cc2)c(C)c1
InChIInChI=1S/C26H23F2N3O2/c1-17-3-12-24(18(2)13-17)29-25(32)23-15-31(14-19-4-8-21(27)9-5-19)30-26(23)33-16-20-6-10-22(28)11-7-20/h3-13,15H,14,16H2,1-2H3,(H,29,32)
InChIKeyUTVKVEQTVWJLPL-UHFFFAOYSA-N
XLogP5.66
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.49
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-dimethoxyphenyl)-3-[(4-fluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]pyrazole-4-carboxamide
CID 16925804
N-(3-fluorophenyl)-3-[(4-fluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]pyrazole-4-carboxamide
CID 16925775
1-benzyl-N-(2-fluorophenyl)-3-phenylmethoxypyrazole-4-carboxamide
CID 16925655
1-(2,4-dimethylphenyl)-3-[1-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]urea
CID 39853392
1-benzyl-N-(2,4-dimethylphenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 18268437
N-(2-fluorophenyl)-3-[(3-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]pyrazole-4-carboxamide
CID 16925880
1-benzyl-N-(4-ethylphenyl)-3-phenylmethoxypyrazole-4-carboxamide
CID 16925653
N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-2,5-dimethylbenzamide
CID 19409217
N-(2,4-dimethylphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxamide
CID 109284527
methyl 1-[(4-fluorophenyl)methyl]-4-methylpyrazole-3-carboxylate
CID 130267404
1-benzyl-N-(4-carbamoylphenyl)-3-phenylmethoxypyrazole-4-carboxamide
CID 16925719
4-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19409199

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-3-[(4-fluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]pyrazole-4-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)-3-[(4-fluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]pyrazole-4-carboxamide (CID 16925798) is N-(2,4-dimethylphenyl)-3-[(4-fluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-3-[(4-fluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-3-[(4-fluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]pyrazole-4-carboxamide is Cc1ccc(NC(=O)c2cn(Cc3ccc(F)cc3)nc2OCc2ccc(F)cc2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-3-[(4-fluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]pyrazole-4-carboxamide?
The InChIKey is UTVKVEQTVWJLPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F2N3O2/c1-17-3-12-24(18(2)13-17)29-25(32)23-15-31(14-19-4-8-21(27)9-5-19)30-26(23)33-16-20-6-10-22(28)11-7-20/h3-13,15H,14,16H2,1-2H3,(H,29,32).
What are the key properties of N-(2,4-dimethylphenyl)-3-[(4-fluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]pyrazole-4-carboxamide?
N-(2,4-dimethylphenyl)-3-[(4-fluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]pyrazole-4-carboxamide has a molecular weight of 447.49 g/mol, XLogP of 5.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-3-[(4-fluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 16925798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).