[(3S)-1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone

C24H35N3O2 — CID 25395452

About [(3S)-1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone

[(3S)-1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone (PubChem CID 25395452) has the molecular formula C24H35N3O2 and a molecular weight of 397.56 g/mol. Its IUPAC name is [(3S)-1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone.

Molecular Properties

• Compound Name: [(3S)-1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone
• PubChem CID: 25395452
• Molecular Formula: C24H35N3O2
• Molecular Weight: 397.56 g/mol
• Exact Mass: 397.27
• IUPAC Name: [(3S)-1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone
• SMILES: Cc1nn(C(C)C)c(C)c1CN1CCC[C@H](C(=O)c2cccc(OC(C)C)c2)C1
• InChI: InChI=1S/C24H35N3O2/c1-16(2)27-19(6)23(18(5)25-27)15-26-12-8-10-21(14-26)24(28)20-9-7-11-22(13-20)29-17(3)4/h7,9,11,13,16-17,21H,8,10,12,14-15H2,1-6H3/t21-/m0/s1
• InChIKey: FAVIAMHFIKAJLU-NRFANRHFSA-N
• XLogP: 4.96
• TPSA: 47.36 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.56
LogP ≤ 5	4.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone?

The IUPAC name of [(3S)-1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone (CID 25395452) is [(3S)-1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone.

What is the SMILES notation for [(3S)-1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone?

The canonical SMILES for [(3S)-1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone is Cc1nn(C(C)C)c(C)c1CN1CCC[C@H](C(=O)c2cccc(OC(C)C)c2)C1.

What is the InChIKey of [(3S)-1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone?

The InChIKey is FAVIAMHFIKAJLU-NRFANRHFSA-N. The full InChI is InChI=1S/C24H35N3O2/c1-16(2)27-19(6)23(18(5)25-27)15-26-12-8-10-21(14-26)24(28)20-9-7-11-22(13-20)29-17(3)4/h7,9,11,13,16-17,21H,8,10,12,14-15H2,1-6H3/t21-/m0/s1.

What are the key properties of [(3S)-1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone?

[(3S)-1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone has a molecular weight of 397.56 g/mol, XLogP of 4.96, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [(3S)-1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone is sourced from PubChem (CID 25395452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).