[2-[4-(pyrazol-1-ylmethyl)phenyl]phenyl]-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone

C25H24N4OS — CID 56579197

About [2-[4-(pyrazol-1-ylmethyl)phenyl]phenyl]-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone

[2-[4-(pyrazol-1-ylmethyl)phenyl]phenyl]-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone (PubChem CID 56579197) has the molecular formula C25H24N4OS and a molecular weight of 428.56 g/mol. Its IUPAC name is [2-[4-(pyrazol-1-ylmethyl)phenyl]phenyl]-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: [2-[4-(pyrazol-1-ylmethyl)phenyl]phenyl]-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
• PubChem CID: 56579197
• Molecular Formula: C25H24N4OS
• Molecular Weight: 428.56 g/mol
• Exact Mass: 428.17
• IUPAC Name: [2-[4-(pyrazol-1-ylmethyl)phenyl]phenyl]-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
• SMILES: O=C(c1ccccc1-c1ccc(Cn2cccn2)cc1)N1CCCC(c2nccs2)C1
• InChI: InChI=1S/C25H24N4OS/c30-25(28-14-3-5-21(18-28)24-26-13-16-31-24)23-7-2-1-6-22(23)20-10-8-19(9-11-20)17-29-15-4-12-27-29/h1-2,4,6-13,15-16,21H,3,5,14,17-18H2
• InChIKey: LFQWIMOXARMXTP-UHFFFAOYSA-N
• XLogP: 5.07
• TPSA: 51.02 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	428.56
LogP ≤ 5	5.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [2-[4-(pyrazol-1-ylmethyl)phenyl]phenyl]-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?

The IUPAC name of [2-[4-(pyrazol-1-ylmethyl)phenyl]phenyl]-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone (CID 56579197) is [2-[4-(pyrazol-1-ylmethyl)phenyl]phenyl]-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone.

What is the SMILES notation for [2-[4-(pyrazol-1-ylmethyl)phenyl]phenyl]-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?

The canonical SMILES for [2-[4-(pyrazol-1-ylmethyl)phenyl]phenyl]-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone is O=C(c1ccccc1-c1ccc(Cn2cccn2)cc1)N1CCCC(c2nccs2)C1.

What is the InChIKey of [2-[4-(pyrazol-1-ylmethyl)phenyl]phenyl]-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?

The InChIKey is LFQWIMOXARMXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4OS/c30-25(28-14-3-5-21(18-28)24-26-13-16-31-24)23-7-2-1-6-22(23)20-10-8-19(9-11-20)17-29-15-4-12-27-29/h1-2,4,6-13,15-16,21H,3,5,14,17-18H2.

What are the key properties of [2-[4-(pyrazol-1-ylmethyl)phenyl]phenyl]-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?

[2-[4-(pyrazol-1-ylmethyl)phenyl]phenyl]-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 428.56 g/mol, XLogP of 5.07, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[4-(pyrazol-1-ylmethyl)phenyl]phenyl]-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 56579197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).