3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]propanamide

C20H16F7N5O — CID 19286518

About 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]propanamide

3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]propanamide (PubChem CID 19286518) has the molecular formula C20H16F7N5O and a molecular weight of 475.37 g/mol. Its IUPAC name is 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]propanamide.

Molecular Properties

• Compound Name: 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]propanamide
• PubChem CID: 19286518
• Molecular Formula: C20H16F7N5O
• Molecular Weight: 475.37 g/mol
• Exact Mass: 475.12
• IUPAC Name: 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]propanamide
• SMILES: O=C(CCn1nc(C(F)(F)F)cc1C1CC1)Nc1ccn(Cc2c(F)c(F)cc(F)c2F)n1
• InChI: InChI=1S/C20H16F7N5O/c21-12-7-13(22)19(24)11(18(12)23)9-31-5-3-16(30-31)28-17(33)4-6-32-14(10-1-2-10)8-15(29-32)20(25,26)27/h3,5,7-8,10H,1-2,4,6,9H2,(H,28,30,33)
• InChIKey: KPNBWTMSNMICRN-UHFFFAOYSA-N
• XLogP: 4.61
• TPSA: 64.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.37
LogP ≤ 5	4.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]propanamide?

The IUPAC name of 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]propanamide (CID 19286518) is 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]propanamide.

What is the SMILES notation for 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]propanamide?

The canonical SMILES for 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]propanamide is O=C(CCn1nc(C(F)(F)F)cc1C1CC1)Nc1ccn(Cc2c(F)c(F)cc(F)c2F)n1.

What is the InChIKey of 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]propanamide?

The InChIKey is KPNBWTMSNMICRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F7N5O/c21-12-7-13(22)19(24)11(18(12)23)9-31-5-3-16(30-31)28-17(33)4-6-32-14(10-1-2-10)8-15(29-32)20(25,26)27/h3,5,7-8,10H,1-2,4,6,9H2,(H,28,30,33).

What are the key properties of 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]propanamide?

3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]propanamide has a molecular weight of 475.37 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]propanamide is sourced from PubChem (CID 19286518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).