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

C25H29FN4O2 — CID 25366302

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

3-fluoro-N-[2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide (PubChem CID 25366302) has the molecular formula C25H29FN4O2 and a molecular weight of 436.53 g/mol. Its IUPAC name is 3-fluoro-N-[2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide.

Molecular Properties

• Compound Name: 3-fluoro-N-[2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
• PubChem CID: 25366302
• Molecular Formula: C25H29FN4O2
• Molecular Weight: 436.53 g/mol
• Exact Mass: 436.23
• IUPAC Name: 3-fluoro-N-[2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
• SMILES: COc1ccc(CN2CCC(n3nccc3NC(=O)c3cccc(F)c3)CC2)c(C)c1C
• InChI: InChI=1S/C25H29FN4O2/c1-17-18(2)23(32-3)8-7-20(17)16-29-13-10-22(11-14-29)30-24(9-12-27-30)28-25(31)19-5-4-6-21(26)15-19/h4-9,12,15,22H,10-11,13-14,16H2,1-3H3,(H,28,31)
• InChIKey: UBWPAYMAZXMZPD-UHFFFAOYSA-N
• XLogP: 4.74
• TPSA: 59.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.53
LogP ≤ 5	4.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide?

The IUPAC name of 3-fluoro-N-[2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide (CID 25366302) is 3-fluoro-N-[2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide.

What is the SMILES notation for 3-fluoro-N-[2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide?

The canonical SMILES for 3-fluoro-N-[2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide is COc1ccc(CN2CCC(n3nccc3NC(=O)c3cccc(F)c3)CC2)c(C)c1C.

What is the InChIKey of 3-fluoro-N-[2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide?

The InChIKey is UBWPAYMAZXMZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN4O2/c1-17-18(2)23(32-3)8-7-20(17)16-29-13-10-22(11-14-29)30-24(9-12-27-30)28-25(31)19-5-4-6-21(26)15-19/h4-9,12,15,22H,10-11,13-14,16H2,1-3H3,(H,28,31).

What are the key properties of 3-fluoro-N-[2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide?

3-fluoro-N-[2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide has a molecular weight of 436.53 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-fluoro-N-[2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide is sourced from PubChem (CID 25366302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).