1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-methyl-6-(propan-2-ylcarbamoyl)phenyl]-3-[[5-(1,1,2,2,2-pentafluoroethyl)tetrazol-1-yl]methyl]pyrazole-5-carboxamide

C25H20ClF5N10O2 — CID 46244056

About 1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-methyl-6-(propan-2-ylcarbamoyl)phenyl]-3-[[5-(1,1,2,2,2-pentafluoroethyl)tetrazol-1-yl]methyl]pyrazole-5-carboxamide

1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-methyl-6-(propan-2-ylcarbamoyl)phenyl]-3-[[5-(1,1,2,2,2-pentafluoroethyl)tetrazol-1-yl]methyl]pyrazole-5-carboxamide (PubChem CID 46244056) has the molecular formula C25H20ClF5N10O2 and a molecular weight of 622.95 g/mol. Its IUPAC name is 1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-methyl-6-(propan-2-ylcarbamoyl)phenyl]-3-[[5-(1,1,2,2,2-pentafluoroethyl)tetrazol-1-yl]methyl]pyrazole-5-carboxamide.

Molecular Properties

• Compound Name: 1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-methyl-6-(propan-2-ylcarbamoyl)phenyl]-3-[[5-(1,1,2,2,2-pentafluoroethyl)tetrazol-1-yl]methyl]pyrazole-5-carboxamide
• PubChem CID: 46244056
• Molecular Formula: C25H20ClF5N10O2
• Molecular Weight: 622.95 g/mol
• Exact Mass: 622.14
• IUPAC Name: 1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-methyl-6-(propan-2-ylcarbamoyl)phenyl]-3-[[5-(1,1,2,2,2-pentafluoroethyl)tetrazol-1-yl]methyl]pyrazole-5-carboxamide
• SMILES: Cc1cc(C#N)cc(C(=O)NC(C)C)c1NC(=O)c1cc(Cn2nnnc2C(F)(F)C(F)(F)F)nn1-c1ncccc1Cl
• InChI: InChI=1S/C25H20ClF5N10O2/c1-12(2)34-21(42)16-8-14(10-32)7-13(3)19(16)35-22(43)18-9-15(37-41(18)20-17(26)5-4-6-33-20)11-40-23(36-38-39-40)24(27,28)25(29,30)31/h4-9,12H,11H2,1-3H3,(H,34,42)(H,35,43)
• InChIKey: NNPNHJUYWQQEIF-UHFFFAOYSA-N
• XLogP: 4.18
• TPSA: 156.30 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	622.95
LogP ≤ 5	4.18
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-methyl-6-(propan-2-ylcarbamoyl)phenyl]-3-[[5-(1,1,2,2,2-pentafluoroethyl)tetrazol-1-yl]methyl]pyrazole-5-carboxamide?

The IUPAC name of 1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-methyl-6-(propan-2-ylcarbamoyl)phenyl]-3-[[5-(1,1,2,2,2-pentafluoroethyl)tetrazol-1-yl]methyl]pyrazole-5-carboxamide (CID 46244056) is 1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-methyl-6-(propan-2-ylcarbamoyl)phenyl]-3-[[5-(1,1,2,2,2-pentafluoroethyl)tetrazol-1-yl]methyl]pyrazole-5-carboxamide.

What is the SMILES notation for 1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-methyl-6-(propan-2-ylcarbamoyl)phenyl]-3-[[5-(1,1,2,2,2-pentafluoroethyl)tetrazol-1-yl]methyl]pyrazole-5-carboxamide?

The canonical SMILES for 1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-methyl-6-(propan-2-ylcarbamoyl)phenyl]-3-[[5-(1,1,2,2,2-pentafluoroethyl)tetrazol-1-yl]methyl]pyrazole-5-carboxamide is Cc1cc(C#N)cc(C(=O)NC(C)C)c1NC(=O)c1cc(Cn2nnnc2C(F)(F)C(F)(F)F)nn1-c1ncccc1Cl.

What is the InChIKey of 1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-methyl-6-(propan-2-ylcarbamoyl)phenyl]-3-[[5-(1,1,2,2,2-pentafluoroethyl)tetrazol-1-yl]methyl]pyrazole-5-carboxamide?

The InChIKey is NNPNHJUYWQQEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClF5N10O2/c1-12(2)34-21(42)16-8-14(10-32)7-13(3)19(16)35-22(43)18-9-15(37-41(18)20-17(26)5-4-6-33-20)11-40-23(36-38-39-40)24(27,28)25(29,30)31/h4-9,12H,11H2,1-3H3,(H,34,42)(H,35,43).

What are the key properties of 1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-methyl-6-(propan-2-ylcarbamoyl)phenyl]-3-[[5-(1,1,2,2,2-pentafluoroethyl)tetrazol-1-yl]methyl]pyrazole-5-carboxamide?

1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-methyl-6-(propan-2-ylcarbamoyl)phenyl]-3-[[5-(1,1,2,2,2-pentafluoroethyl)tetrazol-1-yl]methyl]pyrazole-5-carboxamide has a molecular weight of 622.95 g/mol, XLogP of 4.18, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-methyl-6-(propan-2-ylcarbamoyl)phenyl]-3-[[5-(1,1,2,2,2-pentafluoroethyl)tetrazol-1-yl]methyl]pyrazole-5-carboxamide is sourced from PubChem (CID 46244056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).