(2R)-2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-oxo-4-(trifluoromethyl)chromen-7-yl]propanamide

C20H14ClF6N3O3 — CID 51390553

About (2R)-2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-oxo-4-(trifluoromethyl)chromen-7-yl]propanamide

(2R)-2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-oxo-4-(trifluoromethyl)chromen-7-yl]propanamide (PubChem CID 51390553) has the molecular formula C20H14ClF6N3O3 and a molecular weight of 493.79 g/mol. Its IUPAC name is (2R)-2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-oxo-4-(trifluoromethyl)chromen-7-yl]propanamide.

Molecular Properties

• Compound Name: (2R)-2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-oxo-4-(trifluoromethyl)chromen-7-yl]propanamide
• PubChem CID: 51390553
• Molecular Formula: C20H14ClF6N3O3
• Molecular Weight: 493.79 g/mol
• Exact Mass: 493.06
• IUPAC Name: (2R)-2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-oxo-4-(trifluoromethyl)chromen-7-yl]propanamide
• SMILES: C[C@H](C(=O)Nc1ccc2c(C(F)(F)F)cc(=O)oc2c1)n1nc(C(F)(F)F)c(Cl)c1C1CC1
• InChI: InChI=1S/C20H14ClF6N3O3/c1-8(30-16(9-2-3-9)15(21)17(29-30)20(25,26)27)18(32)28-10-4-5-11-12(19(22,23)24)7-14(31)33-13(11)6-10/h4-9H,2-3H2,1H3,(H,28,32)/t8-/m1/s1
• InChIKey: GQPQLHBCZMCHEZ-MRVPVSSYSA-N
• XLogP: 5.76
• TPSA: 77.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	493.79
LogP ≤ 5	5.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-oxo-4-(trifluoromethyl)chromen-7-yl]propanamide?

The IUPAC name of (2R)-2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-oxo-4-(trifluoromethyl)chromen-7-yl]propanamide (CID 51390553) is (2R)-2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-oxo-4-(trifluoromethyl)chromen-7-yl]propanamide.

What is the SMILES notation for (2R)-2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-oxo-4-(trifluoromethyl)chromen-7-yl]propanamide?

The canonical SMILES for (2R)-2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-oxo-4-(trifluoromethyl)chromen-7-yl]propanamide is C[C@H](C(=O)Nc1ccc2c(C(F)(F)F)cc(=O)oc2c1)n1nc(C(F)(F)F)c(Cl)c1C1CC1.

What is the InChIKey of (2R)-2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-oxo-4-(trifluoromethyl)chromen-7-yl]propanamide?

The InChIKey is GQPQLHBCZMCHEZ-MRVPVSSYSA-N. The full InChI is InChI=1S/C20H14ClF6N3O3/c1-8(30-16(9-2-3-9)15(21)17(29-30)20(25,26)27)18(32)28-10-4-5-11-12(19(22,23)24)7-14(31)33-13(11)6-10/h4-9H,2-3H2,1H3,(H,28,32)/t8-/m1/s1.

What are the key properties of (2R)-2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-oxo-4-(trifluoromethyl)chromen-7-yl]propanamide?

(2R)-2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-oxo-4-(trifluoromethyl)chromen-7-yl]propanamide has a molecular weight of 493.79 g/mol, XLogP of 5.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-oxo-4-(trifluoromethyl)chromen-7-yl]propanamide is sourced from PubChem (CID 51390553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).