3-(4-fluorophenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]-1-methylpyrazole-5-carboxamide

C23H25FN4O2 — CID 121141491

IUPAC3-(4-fluorophenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]-1-methylpyrazole-5-carboxamide
SMILESCOC1CCCN(c2ccc(NC(=O)c3cc(-c4ccc(F)cc4)nn3C)cc2)C1
InChIInChI=1S/C23H25FN4O2/c1-27-22(14-21(26-27)16-5-7-17(24)8-6-16)23(29)25-18-9-11-19(12-10-18)28-13-3-4-20(15-28)30-2/h5-12,14,20H,3-4,13,15H2,1-2H3,(H,25,29)
InChIKeyWHVAKMXGSSFDJG-UHFFFAOYSA-N
MW408.48 g/mol
LogP4.09
Rot. Bonds5

About 3-(4-fluorophenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]-1-methylpyrazole-5-carboxamide

3-(4-fluorophenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]-1-methylpyrazole-5-carboxamide (PubChem CID 121141491) has the molecular formula C23H25FN4O2 and a molecular weight of 408.48 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]-1-methylpyrazole-5-carboxamide
PubChem CID121141491
Molecular FormulaC23H25FN4O2
Molecular Weight408.48 g/mol
Exact Mass408.20
IUPAC Name3-(4-fluorophenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]-1-methylpyrazole-5-carboxamide
SMILESCOC1CCCN(c2ccc(NC(=O)c3cc(-c4ccc(F)cc4)nn3C)cc2)C1
InChIInChI=1S/C23H25FN4O2/c1-27-22(14-21(26-27)16-5-7-17(24)8-6-16)23(29)25-18-9-11-19(12-10-18)28-13-3-4-20(15-28)30-2/h5-12,14,20H,3-4,13,15H2,1-2H3,(H,25,29)
InChIKeyWHVAKMXGSSFDJG-UHFFFAOYSA-N
XLogP4.09
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]-1-methylpyrazole-5-carboxamide (CID 121141491) is 3-(4-fluorophenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]-1-methylpyrazole-5-carboxamide is COC1CCCN(c2ccc(NC(=O)c3cc(-c4ccc(F)cc4)nn3C)cc2)C1.
What is the InChIKey of 3-(4-fluorophenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]-1-methylpyrazole-5-carboxamide?
The InChIKey is WHVAKMXGSSFDJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O2/c1-27-22(14-21(26-27)16-5-7-17(24)8-6-16)23(29)25-18-9-11-19(12-10-18)28-13-3-4-20(15-28)30-2/h5-12,14,20H,3-4,13,15H2,1-2H3,(H,25,29).
What are the key properties of 3-(4-fluorophenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]-1-methylpyrazole-5-carboxamide?
3-(4-fluorophenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]-1-methylpyrazole-5-carboxamide has a molecular weight of 408.48 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 121141491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).