1-(4-fluorophenyl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]-5-propan-2-ylpyrazole-4-carboxamide

C24H27FN4O — CID 56556091

IUPAC1-(4-fluorophenyl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]-5-propan-2-ylpyrazole-4-carboxamide
SMILESCC1CCN(c2ccc(NC(=O)c3cnn(-c4ccc(F)cc4)c3C(C)C)cc2)C1
InChIInChI=1S/C24H27FN4O/c1-16(2)23-22(14-26-29(23)21-8-4-18(25)5-9-21)24(30)27-19-6-10-20(11-7-19)28-13-12-17(3)15-28/h4-11,14,16-17H,12-13,15H2,1-3H3,(H,27,30)
InChIKeyVXLNABJUXBUYKL-UHFFFAOYSA-N
MW406.51 g/mol
LogP5.23
Rot. Bonds5

About 1-(4-fluorophenyl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]-5-propan-2-ylpyrazole-4-carboxamide

1-(4-fluorophenyl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]-5-propan-2-ylpyrazole-4-carboxamide (PubChem CID 56556091) has the molecular formula C24H27FN4O and a molecular weight of 406.51 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]-5-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]-5-propan-2-ylpyrazole-4-carboxamide
PubChem CID56556091
Molecular FormulaC24H27FN4O
Molecular Weight406.51 g/mol
Exact Mass406.22
IUPAC Name1-(4-fluorophenyl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]-5-propan-2-ylpyrazole-4-carboxamide
SMILESCC1CCN(c2ccc(NC(=O)c3cnn(-c4ccc(F)cc4)c3C(C)C)cc2)C1
InChIInChI=1S/C24H27FN4O/c1-16(2)23-22(14-26-29(23)21-8-4-18(25)5-9-21)24(30)27-19-6-10-20(11-7-19)28-13-12-17(3)15-28/h4-11,14,16-17H,12-13,15H2,1-3H3,(H,27,30)
InChIKeyVXLNABJUXBUYKL-UHFFFAOYSA-N
XLogP5.23
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.51
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

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
N-[4-(4-methylpiperidin-1-yl)phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 18229003
1-(2-methylphenyl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 56556088
N-(1,3-dihydro-2-benzofuran-5-yl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 126785728
4-fluoro-N-[3-methyl-1-[4-(3-methylpyrrolidin-1-yl)anilino]-1-oxobutan-2-yl]benzamide
CID 56559076
1-(4-fluorophenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-5-propan-2-ylpyrazole-4-carboxamide
CID 31887523
5-(4-fluorophenyl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]furan-2-carboxamide
CID 56556263
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 46454828
1-(4-fluorophenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-5-propan-2-ylpyrazole-4-carboxamide
CID 31993797
N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 119457171
2-iodo-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide
CID 56559405

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]-5-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]-5-propan-2-ylpyrazole-4-carboxamide (CID 56556091) is 1-(4-fluorophenyl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]-5-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]-5-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]-5-propan-2-ylpyrazole-4-carboxamide is CC1CCN(c2ccc(NC(=O)c3cnn(-c4ccc(F)cc4)c3C(C)C)cc2)C1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]-5-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is VXLNABJUXBUYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O/c1-16(2)23-22(14-26-29(23)21-8-4-18(25)5-9-21)24(30)27-19-6-10-20(11-7-19)28-13-12-17(3)15-28/h4-11,14,16-17H,12-13,15H2,1-3H3,(H,27,30).
What are the key properties of 1-(4-fluorophenyl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]-5-propan-2-ylpyrazole-4-carboxamide?
1-(4-fluorophenyl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]-5-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 406.51 g/mol, XLogP of 5.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]-5-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 56556091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).