5-(4-fluoro-3-methylphenyl)-1-methyl-N-(2-propan-2-ylphenyl)pyrazole-3-carboxamide

C21H22FN3O — CID 110299626

IUPAC5-(4-fluoro-3-methylphenyl)-1-methyl-N-(2-propan-2-ylphenyl)pyrazole-3-carboxamide
SMILESCc1cc(-c2cc(C(=O)Nc3ccccc3C(C)C)nn2C)ccc1F
InChIInChI=1S/C21H22FN3O/c1-13(2)16-7-5-6-8-18(16)23-21(26)19-12-20(25(4)24-19)15-9-10-17(22)14(3)11-15/h5-13H,1-4H3,(H,23,26)
InChIKeyOFJXUTPFFLUYGI-UHFFFAOYSA-N
MW351.43 g/mol
LogP4.91
Rot. Bonds4

About 5-(4-fluoro-3-methylphenyl)-1-methyl-N-(2-propan-2-ylphenyl)pyrazole-3-carboxamide

5-(4-fluoro-3-methylphenyl)-1-methyl-N-(2-propan-2-ylphenyl)pyrazole-3-carboxamide (PubChem CID 110299626) has the molecular formula C21H22FN3O and a molecular weight of 351.43 g/mol. Its IUPAC name is 5-(4-fluoro-3-methylphenyl)-1-methyl-N-(2-propan-2-ylphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-fluoro-3-methylphenyl)-1-methyl-N-(2-propan-2-ylphenyl)pyrazole-3-carboxamide
PubChem CID110299626
Molecular FormulaC21H22FN3O
Molecular Weight351.43 g/mol
Exact Mass351.17
IUPAC Name5-(4-fluoro-3-methylphenyl)-1-methyl-N-(2-propan-2-ylphenyl)pyrazole-3-carboxamide
SMILESCc1cc(-c2cc(C(=O)Nc3ccccc3C(C)C)nn2C)ccc1F
InChIInChI=1S/C21H22FN3O/c1-13(2)16-7-5-6-8-18(16)23-21(26)19-12-20(25(4)24-19)15-9-10-17(22)14(3)11-15/h5-13H,1-4H3,(H,23,26)
InChIKeyOFJXUTPFFLUYGI-UHFFFAOYSA-N
XLogP4.91
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,5-dimethyl-N-(2-propan-2-ylphenyl)pyrazole-3-carboxamide
CID 110685790
5-(4-fluoro-3-methylphenyl)-1-methyl-N-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 110299644
5-(3,4-dimethylphenyl)-1-methyl-N-[2-(methylcarbamoyl)phenyl]pyrazole-3-carboxamide
CID 110615690
1-methyl-5-(4-methylphenyl)-N-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 110299441
5-(4-fluoro-3-methylphenyl)-1-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)pyrazole-3-carboxamide
CID 110411257
5-(4-fluoro-3-methylphenyl)-1-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pyrazole-3-carboxamide
CID 110427015
N-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide
CID 110299582
N-(3-chlorophenyl)-5-(3,4-difluorophenyl)-1-methylpyrazole-3-carboxamide
CID 42879099
5-(4-fluoro-3-methylphenyl)-N-(3-imidazo[1,5-a]pyridin-3-ylpropyl)-1-methylpyrazole-3-carboxamide
CID 110309728
N-[2-[4-(dimethylamino)phenyl]ethyl]-5-(4-fluoro-3-methylphenyl)-1-methylpyrazole-3-carboxamide
CID 110307168
5-(3-fluorophenyl)-1-methyl-N-(4-methylphenyl)pyrazole-3-carboxamide
CID 42879083
N-(2-fluorophenyl)-5-[2-fluoro-6-(trifluoromethyl)phenyl]-1-methylpyrazole-3-carboxamide
CID 90271500

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoro-3-methylphenyl)-1-methyl-N-(2-propan-2-ylphenyl)pyrazole-3-carboxamide?
The IUPAC name of 5-(4-fluoro-3-methylphenyl)-1-methyl-N-(2-propan-2-ylphenyl)pyrazole-3-carboxamide (CID 110299626) is 5-(4-fluoro-3-methylphenyl)-1-methyl-N-(2-propan-2-ylphenyl)pyrazole-3-carboxamide.
What is the SMILES notation for 5-(4-fluoro-3-methylphenyl)-1-methyl-N-(2-propan-2-ylphenyl)pyrazole-3-carboxamide?
The canonical SMILES for 5-(4-fluoro-3-methylphenyl)-1-methyl-N-(2-propan-2-ylphenyl)pyrazole-3-carboxamide is Cc1cc(-c2cc(C(=O)Nc3ccccc3C(C)C)nn2C)ccc1F.
What is the InChIKey of 5-(4-fluoro-3-methylphenyl)-1-methyl-N-(2-propan-2-ylphenyl)pyrazole-3-carboxamide?
The InChIKey is OFJXUTPFFLUYGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O/c1-13(2)16-7-5-6-8-18(16)23-21(26)19-12-20(25(4)24-19)15-9-10-17(22)14(3)11-15/h5-13H,1-4H3,(H,23,26).
What are the key properties of 5-(4-fluoro-3-methylphenyl)-1-methyl-N-(2-propan-2-ylphenyl)pyrazole-3-carboxamide?
5-(4-fluoro-3-methylphenyl)-1-methyl-N-(2-propan-2-ylphenyl)pyrazole-3-carboxamide has a molecular weight of 351.43 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoro-3-methylphenyl)-1-methyl-N-(2-propan-2-ylphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 110299626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).