N-(3-ethylphenyl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide

C21H22FN3O — CID 55581176

IUPACN-(3-ethylphenyl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
SMILESCCc1cccc(NC(=O)c2cnn(-c3ccc(F)cc3)c2C(C)C)c1
InChIInChI=1S/C21H22FN3O/c1-4-15-6-5-7-17(12-15)24-21(26)19-13-23-25(20(19)14(2)3)18-10-8-16(22)9-11-18/h5-14H,4H2,1-3H3,(H,24,26)
InChIKeyXUXRWMUWCOUZJH-UHFFFAOYSA-N
MW351.43 g/mol
LogP4.95
Rot. Bonds5

About N-(3-ethylphenyl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide

N-(3-ethylphenyl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide (PubChem CID 55581176) has the molecular formula C21H22FN3O and a molecular weight of 351.43 g/mol. Its IUPAC name is N-(3-ethylphenyl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-ethylphenyl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
PubChem CID55581176
Molecular FormulaC21H22FN3O
Molecular Weight351.43 g/mol
Exact Mass351.17
IUPAC NameN-(3-ethylphenyl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
SMILESCCc1cccc(NC(=O)c2cnn(-c3ccc(F)cc3)c2C(C)C)c1
InChIInChI=1S/C21H22FN3O/c1-4-15-6-5-7-17(12-15)24-21(26)19-13-23-25(20(19)14(2)3)18-10-8-16(22)9-11-18/h5-14H,4H2,1-3H3,(H,24,26)
InChIKeyXUXRWMUWCOUZJH-UHFFFAOYSA-N
XLogP4.95
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-N-(3-ethylphenyl)-1-(4-fluorophenyl)pyrazole-4-carboxamide
CID 31887301
1-(4-fluorophenyl)-5-propan-2-yl-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]pyrazole-4-carboxamide
CID 55953273
N-(4-acetamidophenyl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 31882537
N-(4-ethoxyphenyl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 31855056
1-(4-fluorophenyl)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-5-propan-2-ylpyrazole-4-carboxamide
CID 55609101
1-(4-fluorophenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-5-propan-2-ylpyrazole-4-carboxamide
CID 31887523
1-(4-fluorophenyl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]-5-propan-2-ylpyrazole-4-carboxamide
CID 31892928
N-(1,3-dihydro-2-benzofuran-5-yl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 126785728
1-(4-fluorophenyl)-N-(2-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 134005041
1-(4-fluorophenyl)-5-methyl-N-[3-(piperidin-1-ylmethyl)phenyl]pyrazole-4-carboxamide
CID 34453775
N-[3-(carbamoylamino)phenyl]-1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 31814455
1-(4-fluorophenyl)-N-[[4-(furan-2-carbonylamino)phenyl]methyl]-5-propan-2-ylpyrazole-4-carboxamide
CID 55595553

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-(3-ethylphenyl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide (CID 55581176) is N-(3-ethylphenyl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-(3-ethylphenyl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-(3-ethylphenyl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide is CCc1cccc(NC(=O)c2cnn(-c3ccc(F)cc3)c2C(C)C)c1.
What is the InChIKey of N-(3-ethylphenyl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is XUXRWMUWCOUZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O/c1-4-15-6-5-7-17(12-15)24-21(26)19-13-23-25(20(19)14(2)3)18-10-8-16(22)9-11-18/h5-14H,4H2,1-3H3,(H,24,26).
What are the key properties of N-(3-ethylphenyl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide?
N-(3-ethylphenyl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 351.43 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 55581176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).