(2R)-N-[2-[3,5-bis(difluoromethyl)pyrazol-1-yl]ethyl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]propanamide

C17H18F7N5O — CID 51853240

About (2R)-N-[2-[3,5-bis(difluoromethyl)pyrazol-1-yl]ethyl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]propanamide

(2R)-N-[2-[3,5-bis(difluoromethyl)pyrazol-1-yl]ethyl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]propanamide (PubChem CID 51853240) has the molecular formula C17H18F7N5O and a molecular weight of 441.35 g/mol. Its IUPAC name is (2R)-N-[2-[3,5-bis(difluoromethyl)pyrazol-1-yl]ethyl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]propanamide.

Molecular Properties

• Compound Name: (2R)-N-[2-[3,5-bis(difluoromethyl)pyrazol-1-yl]ethyl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]propanamide
• PubChem CID: 51853240
• Molecular Formula: C17H18F7N5O
• Molecular Weight: 441.35 g/mol
• Exact Mass: 441.14
• IUPAC Name: (2R)-N-[2-[3,5-bis(difluoromethyl)pyrazol-1-yl]ethyl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]propanamide
• SMILES: C[C@H](C(=O)NCCn1nc(C(F)F)cc1C(F)F)n1nc(C(F)(F)F)c2c1CCC2
• InChI: InChI=1S/C17H18F7N5O/c1-8(29-11-4-2-3-9(11)13(27-29)17(22,23)24)16(30)25-5-6-28-12(15(20)21)7-10(26-28)14(18)19/h7-8,14-15H,2-6H2,1H3,(H,25,30)/t8-/m1/s1
• InChIKey: NUIBFCQMVABKLZ-MRVPVSSYSA-N
• XLogP: 3.84
• TPSA: 64.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.35
LogP ≤ 5	3.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-[3,5-bis(difluoromethyl)pyrazol-1-yl]ethyl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]propanamide?

The IUPAC name of (2R)-N-[2-[3,5-bis(difluoromethyl)pyrazol-1-yl]ethyl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]propanamide (CID 51853240) is (2R)-N-[2-[3,5-bis(difluoromethyl)pyrazol-1-yl]ethyl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]propanamide.

What is the SMILES notation for (2R)-N-[2-[3,5-bis(difluoromethyl)pyrazol-1-yl]ethyl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]propanamide?

The canonical SMILES for (2R)-N-[2-[3,5-bis(difluoromethyl)pyrazol-1-yl]ethyl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]propanamide is C[C@H](C(=O)NCCn1nc(C(F)F)cc1C(F)F)n1nc(C(F)(F)F)c2c1CCC2.

What is the InChIKey of (2R)-N-[2-[3,5-bis(difluoromethyl)pyrazol-1-yl]ethyl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]propanamide?

The InChIKey is NUIBFCQMVABKLZ-MRVPVSSYSA-N. The full InChI is InChI=1S/C17H18F7N5O/c1-8(29-11-4-2-3-9(11)13(27-29)17(22,23)24)16(30)25-5-6-28-12(15(20)21)7-10(26-28)14(18)19/h7-8,14-15H,2-6H2,1H3,(H,25,30)/t8-/m1/s1.

What are the key properties of (2R)-N-[2-[3,5-bis(difluoromethyl)pyrazol-1-yl]ethyl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]propanamide?

(2R)-N-[2-[3,5-bis(difluoromethyl)pyrazol-1-yl]ethyl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]propanamide has a molecular weight of 441.35 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-[2-[3,5-bis(difluoromethyl)pyrazol-1-yl]ethyl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]propanamide is sourced from PubChem (CID 51853240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).