1-(2,4-dimethylphenyl)-N,3-bis(2-fluorophenyl)pyrazole-5-carboxamide

C24H19F2N3O — CID 3957723

IUPAC1-(2,4-dimethylphenyl)-N,3-bis(2-fluorophenyl)pyrazole-5-carboxamide
SMILESCc1ccc(-n2nc(-c3ccccc3F)cc2C(=O)Nc2ccccc2F)c(C)c1
InChIInChI=1S/C24H19F2N3O/c1-15-11-12-22(16(2)13-15)29-23(24(30)27-20-10-6-5-9-19(20)26)14-21(28-29)17-7-3-4-8-18(17)25/h3-14H,1-2H3,(H,27,30)
InChIKeyMQZPNYPVJMYVJI-UHFFFAOYSA-N
MW403.43 g/mol
LogP5.69
Rot. Bonds4

About 1-(2,4-dimethylphenyl)-N,3-bis(2-fluorophenyl)pyrazole-5-carboxamide

1-(2,4-dimethylphenyl)-N,3-bis(2-fluorophenyl)pyrazole-5-carboxamide (PubChem CID 3957723) has the molecular formula C24H19F2N3O and a molecular weight of 403.43 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-N,3-bis(2-fluorophenyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-N,3-bis(2-fluorophenyl)pyrazole-5-carboxamide
PubChem CID3957723
Molecular FormulaC24H19F2N3O
Molecular Weight403.43 g/mol
Exact Mass403.15
IUPAC Name1-(2,4-dimethylphenyl)-N,3-bis(2-fluorophenyl)pyrazole-5-carboxamide
SMILESCc1ccc(-n2nc(-c3ccccc3F)cc2C(=O)Nc2ccccc2F)c(C)c1
InChIInChI=1S/C24H19F2N3O/c1-15-11-12-22(16(2)13-15)29-23(24(30)27-20-10-6-5-9-19(20)26)14-21(28-29)17-7-3-4-8-18(17)25/h3-14H,1-2H3,(H,27,30)
InChIKeyMQZPNYPVJMYVJI-UHFFFAOYSA-N
XLogP5.69
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.43
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dimethylphenyl)-3-(2-fluorophenyl)pyrazole-5-carboxylic acid
CID 812149
N-[(2S)-butan-2-yl]-1-(2,4-dimethylphenyl)-3-(2-fluorophenyl)pyrazole-5-carboxamide
CID 7271774
1-(2,5-dimethylphenyl)-N-(2-fluorophenyl)-3-(4-nitrophenyl)pyrazole-5-carboxamide
CID 1053304
1-(2,4-dimethylphenyl)-3-(2-fluorophenyl)pyrazol-5-amine
CID 43381660
2-tert-butyl-N,5-bis(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 46079878
N-(2-fluorophenyl)-1-(3-methylphenyl)-3-(4-nitrophenyl)pyrazole-5-carboxamide
CID 3271382
1-(2,5-dimethylphenyl)-3-(2-fluorophenyl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide
CID 4046396
1-(2,4-dimethylphenyl)-3-(4-fluorophenyl)-N-[(1R)-1-phenylethyl]pyrazole-5-carboxamide
CID 7337494
1-(2-chlorophenyl)-N-(2-fluorophenyl)-3-(5-methylfuran-2-yl)pyrazole-5-carboxamide
CID 3543869
1-(2,5-dimethylphenyl)-3-(2-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-5-carboxamide
CID 42754871
N-[(2S)-butan-2-yl]-1-(2,4-dimethylphenyl)-3-phenylpyrazole-5-carboxamide
CID 812204
N-butyl-3-(2-fluorophenyl)-1-(3-methylphenyl)pyrazole-5-carboxamide
CID 3928808

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-N,3-bis(2-fluorophenyl)pyrazole-5-carboxamide?
The IUPAC name of 1-(2,4-dimethylphenyl)-N,3-bis(2-fluorophenyl)pyrazole-5-carboxamide (CID 3957723) is 1-(2,4-dimethylphenyl)-N,3-bis(2-fluorophenyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-N,3-bis(2-fluorophenyl)pyrazole-5-carboxamide?
The canonical SMILES for 1-(2,4-dimethylphenyl)-N,3-bis(2-fluorophenyl)pyrazole-5-carboxamide is Cc1ccc(-n2nc(-c3ccccc3F)cc2C(=O)Nc2ccccc2F)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-N,3-bis(2-fluorophenyl)pyrazole-5-carboxamide?
The InChIKey is MQZPNYPVJMYVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F2N3O/c1-15-11-12-22(16(2)13-15)29-23(24(30)27-20-10-6-5-9-19(20)26)14-21(28-29)17-7-3-4-8-18(17)25/h3-14H,1-2H3,(H,27,30).
What are the key properties of 1-(2,4-dimethylphenyl)-N,3-bis(2-fluorophenyl)pyrazole-5-carboxamide?
1-(2,4-dimethylphenyl)-N,3-bis(2-fluorophenyl)pyrazole-5-carboxamide has a molecular weight of 403.43 g/mol, XLogP of 5.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-N,3-bis(2-fluorophenyl)pyrazole-5-carboxamide is sourced from PubChem (CID 3957723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).