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

C25H22FN3O — CID 42754711

IUPAC1-(2,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-3-phenylpyrazole-5-carboxamide
SMILESCc1ccc(C)c(-n2nc(-c3ccccc3)cc2C(=O)NCc2ccc(F)cc2)c1
InChIInChI=1S/C25H22FN3O/c1-17-8-9-18(2)23(14-17)29-24(15-22(28-29)20-6-4-3-5-7-20)25(30)27-16-19-10-12-21(26)13-11-19/h3-15H,16H2,1-2H3,(H,27,30)
InChIKeyKEDDIDBGIZFICG-UHFFFAOYSA-N
MW399.47 g/mol
LogP5.23
Rot. Bonds5

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

1-(2,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-3-phenylpyrazole-5-carboxamide (PubChem CID 42754711) has the molecular formula C25H22FN3O and a molecular weight of 399.47 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-3-phenylpyrazole-5-carboxamide.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-3-phenylpyrazole-5-carboxamide
PubChem CID42754711
Molecular FormulaC25H22FN3O
Molecular Weight399.47 g/mol
Exact Mass399.17
IUPAC Name1-(2,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-3-phenylpyrazole-5-carboxamide
SMILESCc1ccc(C)c(-n2nc(-c3ccccc3)cc2C(=O)NCc2ccc(F)cc2)c1
InChIInChI=1S/C25H22FN3O/c1-17-8-9-18(2)23(14-17)29-24(15-22(28-29)20-6-4-3-5-7-20)25(30)27-16-19-10-12-21(26)13-11-19/h3-15H,16H2,1-2H3,(H,27,30)
InChIKeyKEDDIDBGIZFICG-UHFFFAOYSA-N
XLogP5.23
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.47
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dimethylphenyl)-3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]pyrazole-5-carboxamide
CID 3661640
1-(2,5-dimethylphenyl)-3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide
CID 42755274
1-(2,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-3-(furan-2-yl)pyrazole-5-carboxamide
CID 1053621
N-(1,3-benzodioxol-5-ylmethyl)-1-(2,5-dimethylphenyl)-3-phenylpyrazole-5-carboxamide
CID 42754707
N-[2-(dimethylamino)ethyl]-1-(2,5-dimethylphenyl)-3-(4-fluorophenyl)pyrazole-5-carboxamide
CID 42755261
1-(2,5-dimethylphenyl)-3-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide
CID 42755424
N-benzhydryl-1-(2,5-dimethylphenyl)-3-phenylpyrazole-5-carboxamide
CID 42754685
1-(2-chlorophenyl)-N-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)pyrazole-5-carboxamide
CID 42758626
1-(2,5-dimethylphenyl)-3-(2-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-5-carboxamide
CID 42754871
3-(3,4-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-1-(4-nitrophenyl)pyrazole-5-carboxamide
CID 42758410
N-[5-(diethylamino)pentan-2-yl]-1-(2,5-dimethylphenyl)-3-(4-fluorophenyl)pyrazole-5-carboxamide
CID 42755258
1-(2,4-dimethylphenyl)-3-(4-fluorophenyl)-N-[(1R)-1-phenylethyl]pyrazole-5-carboxamide
CID 7337494

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-3-phenylpyrazole-5-carboxamide?
The IUPAC name of 1-(2,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-3-phenylpyrazole-5-carboxamide (CID 42754711) is 1-(2,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-3-phenylpyrazole-5-carboxamide.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-3-phenylpyrazole-5-carboxamide?
The canonical SMILES for 1-(2,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-3-phenylpyrazole-5-carboxamide is Cc1ccc(C)c(-n2nc(-c3ccccc3)cc2C(=O)NCc2ccc(F)cc2)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-3-phenylpyrazole-5-carboxamide?
The InChIKey is KEDDIDBGIZFICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN3O/c1-17-8-9-18(2)23(14-17)29-24(15-22(28-29)20-6-4-3-5-7-20)25(30)27-16-19-10-12-21(26)13-11-19/h3-15H,16H2,1-2H3,(H,27,30).
What are the key properties of 1-(2,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-3-phenylpyrazole-5-carboxamide?
1-(2,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-3-phenylpyrazole-5-carboxamide has a molecular weight of 399.47 g/mol, XLogP of 5.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-3-phenylpyrazole-5-carboxamide is sourced from PubChem (CID 42754711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).