[3-(4-pyrazol-1-ylbutan-2-ylamino)cyclopentyl]-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone

C23H31F3N6O — CID 143492725

About [3-(4-pyrazol-1-ylbutan-2-ylamino)cyclopentyl]-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone

[3-(4-pyrazol-1-ylbutan-2-ylamino)cyclopentyl]-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone (PubChem CID 143492725) has the molecular formula C23H31F3N6O and a molecular weight of 464.54 g/mol. Its IUPAC name is [3-(4-pyrazol-1-ylbutan-2-ylamino)cyclopentyl]-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone.

Molecular Properties

• Compound Name: [3-(4-pyrazol-1-ylbutan-2-ylamino)cyclopentyl]-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
• PubChem CID: 143492725
• Molecular Formula: C23H31F3N6O
• Molecular Weight: 464.54 g/mol
• Exact Mass: 464.25
• IUPAC Name: [3-(4-pyrazol-1-ylbutan-2-ylamino)cyclopentyl]-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
• SMILES: CC(CCn1cccn1)NC1CCC(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)C1
• InChI: InChI=1S/C23H31F3N6O/c1-17(6-10-32-9-2-7-28-32)29-20-4-3-18(15-20)22(33)31-13-11-30(12-14-31)21-16-19(5-8-27-21)23(24,25)26/h2,5,7-9,16-18,20,29H,3-4,6,10-15H2,1H3
• InChIKey: GFAOTYMIZIKPOZ-UHFFFAOYSA-N
• XLogP: 3.18
• TPSA: 66.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.54
LogP ≤ 5	3.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [3-(4-pyrazol-1-ylbutan-2-ylamino)cyclopentyl]-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?

The IUPAC name of [3-(4-pyrazol-1-ylbutan-2-ylamino)cyclopentyl]-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone (CID 143492725) is [3-(4-pyrazol-1-ylbutan-2-ylamino)cyclopentyl]-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone.

What is the SMILES notation for [3-(4-pyrazol-1-ylbutan-2-ylamino)cyclopentyl]-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?

The canonical SMILES for [3-(4-pyrazol-1-ylbutan-2-ylamino)cyclopentyl]-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone is CC(CCn1cccn1)NC1CCC(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)C1.

What is the InChIKey of [3-(4-pyrazol-1-ylbutan-2-ylamino)cyclopentyl]-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?

The InChIKey is GFAOTYMIZIKPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31F3N6O/c1-17(6-10-32-9-2-7-28-32)29-20-4-3-18(15-20)22(33)31-13-11-30(12-14-31)21-16-19(5-8-27-21)23(24,25)26/h2,5,7-9,16-18,20,29H,3-4,6,10-15H2,1H3.

What are the key properties of [3-(4-pyrazol-1-ylbutan-2-ylamino)cyclopentyl]-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?

[3-(4-pyrazol-1-ylbutan-2-ylamino)cyclopentyl]-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone has a molecular weight of 464.54 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(4-pyrazol-1-ylbutan-2-ylamino)cyclopentyl]-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone is sourced from PubChem (CID 143492725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).