N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide

C25H33FN4O2 — CID 46454828

IUPACN-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)c1c(C(=O)NC2CCN(C(=O)C3CCCCC3)CC2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C25H33FN4O2/c1-17(2)23-22(16-27-30(23)21-10-8-19(26)9-11-21)24(31)28-20-12-14-29(15-13-20)25(32)18-6-4-3-5-7-18/h8-11,16-18,20H,3-7,12-15H2,1-2H3,(H,28,31)
InChIKeyVOARVBLYGGSTDS-UHFFFAOYSA-N
MW440.56 g/mol
LogP4.44
Rot. Bonds5

About N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide

N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide (PubChem CID 46454828) has the molecular formula C25H33FN4O2 and a molecular weight of 440.56 g/mol. Its IUPAC name is N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
PubChem CID46454828
Molecular FormulaC25H33FN4O2
Molecular Weight440.56 g/mol
Exact Mass440.26
IUPAC NameN-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)c1c(C(=O)NC2CCN(C(=O)C3CCCCC3)CC2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C25H33FN4O2/c1-17(2)23-22(16-27-30(23)21-10-8-19(26)9-11-21)24(31)28-20-12-14-29(15-13-20)25(32)18-6-4-3-5-7-18/h8-11,16-18,20H,3-7,12-15H2,1-2H3,(H,28,31)
InChIKeyVOARVBLYGGSTDS-UHFFFAOYSA-N
XLogP4.44
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.56
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide (CID 46454828) is N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide is CC(C)c1c(C(=O)NC2CCN(C(=O)C3CCCCC3)CC2)cnn1-c1ccc(F)cc1.
What is the InChIKey of N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is VOARVBLYGGSTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33FN4O2/c1-17(2)23-22(16-27-30(23)21-10-8-19(26)9-11-21)24(31)28-20-12-14-29(15-13-20)25(32)18-6-4-3-5-7-18/h8-11,16-18,20H,3-7,12-15H2,1-2H3,(H,28,31).
What are the key properties of N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide?
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 440.56 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 46454828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).