4-methoxy-N-[2-[1-(4,4,4-trifluorobutanoyl)piperidin-4-yl]pyrazol-3-yl]benzamide

C20H23F3N4O3 — CID 24816663

IUPAC4-methoxy-N-[2-[1-(4,4,4-trifluorobutanoyl)piperidin-4-yl]pyrazol-3-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccnn2C2CCN(C(=O)CCC(F)(F)F)CC2)cc1
InChIInChI=1S/C20H23F3N4O3/c1-30-16-4-2-14(3-5-16)19(29)25-17-7-11-24-27(17)15-8-12-26(13-9-15)18(28)6-10-20(21,22)23/h2-5,7,11,15H,6,8-10,12-13H2,1H3,(H,25,29)
InChIKeyLYMZCAAFTADBGI-UHFFFAOYSA-N
MW424.42 g/mol
LogP3.65
Rot. Bonds6

About 4-methoxy-N-[2-[1-(4,4,4-trifluorobutanoyl)piperidin-4-yl]pyrazol-3-yl]benzamide

4-methoxy-N-[2-[1-(4,4,4-trifluorobutanoyl)piperidin-4-yl]pyrazol-3-yl]benzamide (PubChem CID 24816663) has the molecular formula C20H23F3N4O3 and a molecular weight of 424.42 g/mol. Its IUPAC name is 4-methoxy-N-[2-[1-(4,4,4-trifluorobutanoyl)piperidin-4-yl]pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[2-[1-(4,4,4-trifluorobutanoyl)piperidin-4-yl]pyrazol-3-yl]benzamide
PubChem CID24816663
Molecular FormulaC20H23F3N4O3
Molecular Weight424.42 g/mol
Exact Mass424.17
IUPAC Name4-methoxy-N-[2-[1-(4,4,4-trifluorobutanoyl)piperidin-4-yl]pyrazol-3-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccnn2C2CCN(C(=O)CCC(F)(F)F)CC2)cc1
InChIInChI=1S/C20H23F3N4O3/c1-30-16-4-2-14(3-5-16)19(29)25-17-7-11-24-27(17)15-8-12-26(13-9-15)18(28)6-10-20(21,22)23/h2-5,7,11,15H,6,8-10,12-13H2,1H3,(H,25,29)
InChIKeyLYMZCAAFTADBGI-UHFFFAOYSA-N
XLogP3.65
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.42
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-methoxy-N-[2-[1-(4,4,4-trifluorobutanoyl)piperidin-4-yl]pyrazol-3-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-[1-(4,4,4-trifluorobutanoyl)piperidin-4-yl]pyrazol-3-yl]benzamide?
The IUPAC name of 4-methoxy-N-[2-[1-(4,4,4-trifluorobutanoyl)piperidin-4-yl]pyrazol-3-yl]benzamide (CID 24816663) is 4-methoxy-N-[2-[1-(4,4,4-trifluorobutanoyl)piperidin-4-yl]pyrazol-3-yl]benzamide.
What is the SMILES notation for 4-methoxy-N-[2-[1-(4,4,4-trifluorobutanoyl)piperidin-4-yl]pyrazol-3-yl]benzamide?
The canonical SMILES for 4-methoxy-N-[2-[1-(4,4,4-trifluorobutanoyl)piperidin-4-yl]pyrazol-3-yl]benzamide is COc1ccc(C(=O)Nc2ccnn2C2CCN(C(=O)CCC(F)(F)F)CC2)cc1.
What is the InChIKey of 4-methoxy-N-[2-[1-(4,4,4-trifluorobutanoyl)piperidin-4-yl]pyrazol-3-yl]benzamide?
The InChIKey is LYMZCAAFTADBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N4O3/c1-30-16-4-2-14(3-5-16)19(29)25-17-7-11-24-27(17)15-8-12-26(13-9-15)18(28)6-10-20(21,22)23/h2-5,7,11,15H,6,8-10,12-13H2,1H3,(H,25,29).
What are the key properties of 4-methoxy-N-[2-[1-(4,4,4-trifluorobutanoyl)piperidin-4-yl]pyrazol-3-yl]benzamide?
4-methoxy-N-[2-[1-(4,4,4-trifluorobutanoyl)piperidin-4-yl]pyrazol-3-yl]benzamide has a molecular weight of 424.42 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-[1-(4,4,4-trifluorobutanoyl)piperidin-4-yl]pyrazol-3-yl]benzamide is sourced from PubChem (CID 24816663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).