1-(2,4-dimethylphenyl)-3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]pyrazole-5-carboxamide

C25H21F2N3O — CID 3661640

IUPAC1-(2,4-dimethylphenyl)-3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]pyrazole-5-carboxamide
SMILESCc1ccc(-n2nc(-c3ccc(F)cc3)cc2C(=O)NCc2ccc(F)cc2)c(C)c1
InChIInChI=1S/C25H21F2N3O/c1-16-3-12-23(17(2)13-16)30-24(14-22(29-30)19-6-10-21(27)11-7-19)25(31)28-15-18-4-8-20(26)9-5-18/h3-14H,15H2,1-2H3,(H,28,31)
InChIKeyZALGZESZDBZAQF-UHFFFAOYSA-N
MW417.46 g/mol
LogP5.36
Rot. Bonds5

About 1-(2,4-dimethylphenyl)-3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]pyrazole-5-carboxamide

1-(2,4-dimethylphenyl)-3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]pyrazole-5-carboxamide (PubChem CID 3661640) has the molecular formula C25H21F2N3O and a molecular weight of 417.46 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]pyrazole-5-carboxamide
PubChem CID3661640
Molecular FormulaC25H21F2N3O
Molecular Weight417.46 g/mol
Exact Mass417.17
IUPAC Name1-(2,4-dimethylphenyl)-3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]pyrazole-5-carboxamide
SMILESCc1ccc(-n2nc(-c3ccc(F)cc3)cc2C(=O)NCc2ccc(F)cc2)c(C)c1
InChIInChI=1S/C25H21F2N3O/c1-16-3-12-23(17(2)13-16)30-24(14-22(29-30)19-6-10-21(27)11-7-19)25(31)28-15-18-4-8-20(26)9-5-18/h3-14H,15H2,1-2H3,(H,28,31)
InChIKeyZALGZESZDBZAQF-UHFFFAOYSA-N
XLogP5.36
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.46
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-3-phenylpyrazole-5-carboxamide
CID 42754711
1-(2,5-dimethylphenyl)-3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide
CID 42755274
1-(2,4-dimethylphenyl)-3-(4-fluorophenyl)-N-[(1R)-1-phenylethyl]pyrazole-5-carboxamide
CID 7337494
1-(2,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-3-(furan-2-yl)pyrazole-5-carboxamide
CID 1053621
N-[2-(dimethylamino)ethyl]-1-(2,5-dimethylphenyl)-3-(4-fluorophenyl)pyrazole-5-carboxamide
CID 42755261
1-(2-chlorophenyl)-N-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)pyrazole-5-carboxamide
CID 42758626
3-(3,4-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-1-(4-nitrophenyl)pyrazole-5-carboxamide
CID 42758410
1-(2,5-dimethylphenyl)-3-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide
CID 42755424
3-(4-fluorophenyl)-N-(2-methoxyethyl)-1-(4-methylphenyl)pyrazole-5-carboxamide
CID 4558582
3-(4-fluorophenyl)-1-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide
CID 3940824
N-[(2S)-butan-2-yl]-1-(2,4-dimethylphenyl)-3-phenylpyrazole-5-carboxamide
CID 812204
N-[(2S)-butan-2-yl]-1-(2,4-dimethylphenyl)-3-(3,4-dimethylphenyl)pyrazole-5-carboxamide
CID 7289215

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]pyrazole-5-carboxamide?
The IUPAC name of 1-(2,4-dimethylphenyl)-3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]pyrazole-5-carboxamide (CID 3661640) is 1-(2,4-dimethylphenyl)-3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]pyrazole-5-carboxamide.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]pyrazole-5-carboxamide?
The canonical SMILES for 1-(2,4-dimethylphenyl)-3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]pyrazole-5-carboxamide is Cc1ccc(-n2nc(-c3ccc(F)cc3)cc2C(=O)NCc2ccc(F)cc2)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]pyrazole-5-carboxamide?
The InChIKey is ZALGZESZDBZAQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F2N3O/c1-16-3-12-23(17(2)13-16)30-24(14-22(29-30)19-6-10-21(27)11-7-19)25(31)28-15-18-4-8-20(26)9-5-18/h3-14H,15H2,1-2H3,(H,28,31).
What are the key properties of 1-(2,4-dimethylphenyl)-3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]pyrazole-5-carboxamide?
1-(2,4-dimethylphenyl)-3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]pyrazole-5-carboxamide has a molecular weight of 417.46 g/mol, XLogP of 5.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]pyrazole-5-carboxamide is sourced from PubChem (CID 3661640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).