cyclopenten-1-yl-[(3S)-3-[4-(3,4-difluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone

C20H21F2N3O — CID 42407069

About cyclopenten-1-yl-[(3S)-3-[4-(3,4-difluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone

cyclopenten-1-yl-[(3S)-3-[4-(3,4-difluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone (PubChem CID 42407069) has the molecular formula C20H21F2N3O and a molecular weight of 357.40 g/mol. Its IUPAC name is cyclopenten-1-yl-[(3S)-3-[4-(3,4-difluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: cyclopenten-1-yl-[(3S)-3-[4-(3,4-difluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
• PubChem CID: 42407069
• Molecular Formula: C20H21F2N3O
• Molecular Weight: 357.40 g/mol
• Exact Mass: 357.17
• IUPAC Name: cyclopenten-1-yl-[(3S)-3-[4-(3,4-difluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
• SMILES: O=C(C1=CCCC1)N1CCC[C@H](c2[nH]ncc2-c2ccc(F)c(F)c2)C1
• InChI: InChI=1S/C20H21F2N3O/c21-17-8-7-14(10-18(17)22)16-11-23-24-19(16)15-6-3-9-25(12-15)20(26)13-4-1-2-5-13/h4,7-8,10-11,15H,1-3,5-6,9,12H2,(H,23,24)/t15-/m0/s1
• InChIKey: YPFQMZJSCFZBLC-HNNXBMFYSA-N
• XLogP: 4.17
• TPSA: 48.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	357.40
LogP ≤ 5	4.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of cyclopenten-1-yl-[(3S)-3-[4-(3,4-difluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone?

The IUPAC name of cyclopenten-1-yl-[(3S)-3-[4-(3,4-difluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone (CID 42407069) is cyclopenten-1-yl-[(3S)-3-[4-(3,4-difluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone.

What is the SMILES notation for cyclopenten-1-yl-[(3S)-3-[4-(3,4-difluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone?

The canonical SMILES for cyclopenten-1-yl-[(3S)-3-[4-(3,4-difluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone is O=C(C1=CCCC1)N1CCC[C@H](c2[nH]ncc2-c2ccc(F)c(F)c2)C1.

What is the InChIKey of cyclopenten-1-yl-[(3S)-3-[4-(3,4-difluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone?

The InChIKey is YPFQMZJSCFZBLC-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H21F2N3O/c21-17-8-7-14(10-18(17)22)16-11-23-24-19(16)15-6-3-9-25(12-15)20(26)13-4-1-2-5-13/h4,7-8,10-11,15H,1-3,5-6,9,12H2,(H,23,24)/t15-/m0/s1.

What are the key properties of cyclopenten-1-yl-[(3S)-3-[4-(3,4-difluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone?

cyclopenten-1-yl-[(3S)-3-[4-(3,4-difluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone has a molecular weight of 357.40 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopenten-1-yl-[(3S)-3-[4-(3,4-difluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 42407069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).