N-[4-chloro-2-methyl-6-[[2-oxo-2-(propan-2-ylamino)ethoxy]carbamoyl]phenyl]-5-(3-chloro-2-pyridinyl)-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide

C24H23Cl2F3N6O4 — CID 71510590

About N-[4-chloro-2-methyl-6-[[2-oxo-2-(propan-2-ylamino)ethoxy]carbamoyl]phenyl]-5-(3-chloro-2-pyridinyl)-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide

N-[4-chloro-2-methyl-6-[[2-oxo-2-(propan-2-ylamino)ethoxy]carbamoyl]phenyl]-5-(3-chloro-2-pyridinyl)-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide (PubChem CID 71510590) has the molecular formula C24H23Cl2F3N6O4 and a molecular weight of 587.39 g/mol. Its IUPAC name is N-[4-chloro-2-methyl-6-[[2-oxo-2-(propan-2-ylamino)ethoxy]carbamoyl]phenyl]-5-(3-chloro-2-pyridinyl)-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[4-chloro-2-methyl-6-[[2-oxo-2-(propan-2-ylamino)ethoxy]carbamoyl]phenyl]-5-(3-chloro-2-pyridinyl)-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
• PubChem CID: 71510590
• Molecular Formula: C24H23Cl2F3N6O4
• Molecular Weight: 587.39 g/mol
• Exact Mass: 586.11
• IUPAC Name: N-[4-chloro-2-methyl-6-[[2-oxo-2-(propan-2-ylamino)ethoxy]carbamoyl]phenyl]-5-(3-chloro-2-pyridinyl)-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
• SMILES: Cc1cc(Cl)cc(C(=O)NOCC(=O)NC(C)C)c1NC(=O)c1cnn(CC(F)(F)F)c1-c1ncccc1Cl
• InChI: InChI=1S/C24H23Cl2F3N6O4/c1-12(2)32-18(36)10-39-34-23(38)15-8-14(25)7-13(3)19(15)33-22(37)16-9-31-35(11-24(27,28)29)21(16)20-17(26)5-4-6-30-20/h4-9,12H,10-11H2,1-3H3,(H,32,36)(H,33,37)(H,34,38)
• InChIKey: UIIFMPGWRFQRQB-UHFFFAOYSA-N
• XLogP: 4.56
• TPSA: 127.24 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	587.39
LogP ≤ 5	4.56
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-methyl-6-[[2-oxo-2-(propan-2-ylamino)ethoxy]carbamoyl]phenyl]-5-(3-chloro-2-pyridinyl)-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?

The IUPAC name of N-[4-chloro-2-methyl-6-[[2-oxo-2-(propan-2-ylamino)ethoxy]carbamoyl]phenyl]-5-(3-chloro-2-pyridinyl)-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide (CID 71510590) is N-[4-chloro-2-methyl-6-[[2-oxo-2-(propan-2-ylamino)ethoxy]carbamoyl]phenyl]-5-(3-chloro-2-pyridinyl)-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide.

What is the SMILES notation for N-[4-chloro-2-methyl-6-[[2-oxo-2-(propan-2-ylamino)ethoxy]carbamoyl]phenyl]-5-(3-chloro-2-pyridinyl)-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?

The canonical SMILES for N-[4-chloro-2-methyl-6-[[2-oxo-2-(propan-2-ylamino)ethoxy]carbamoyl]phenyl]-5-(3-chloro-2-pyridinyl)-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide is Cc1cc(Cl)cc(C(=O)NOCC(=O)NC(C)C)c1NC(=O)c1cnn(CC(F)(F)F)c1-c1ncccc1Cl.

What is the InChIKey of N-[4-chloro-2-methyl-6-[[2-oxo-2-(propan-2-ylamino)ethoxy]carbamoyl]phenyl]-5-(3-chloro-2-pyridinyl)-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?

The InChIKey is UIIFMPGWRFQRQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23Cl2F3N6O4/c1-12(2)32-18(36)10-39-34-23(38)15-8-14(25)7-13(3)19(15)33-22(37)16-9-31-35(11-24(27,28)29)21(16)20-17(26)5-4-6-30-20/h4-9,12H,10-11H2,1-3H3,(H,32,36)(H,33,37)(H,34,38).

What are the key properties of N-[4-chloro-2-methyl-6-[[2-oxo-2-(propan-2-ylamino)ethoxy]carbamoyl]phenyl]-5-(3-chloro-2-pyridinyl)-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?

N-[4-chloro-2-methyl-6-[[2-oxo-2-(propan-2-ylamino)ethoxy]carbamoyl]phenyl]-5-(3-chloro-2-pyridinyl)-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide has a molecular weight of 587.39 g/mol, XLogP of 4.56, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-chloro-2-methyl-6-[[2-oxo-2-(propan-2-ylamino)ethoxy]carbamoyl]phenyl]-5-(3-chloro-2-pyridinyl)-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 71510590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).