N-[2-(cyclopropylcarbamoyl)-4-iodo-6-methylphenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]-3-[[5-(trifluoromethyl)tetrazol-1-yl]methyl]pyrazole-5-carboxamide

C24H18F6IN9O2 — CID 59530486

About N-[2-(cyclopropylcarbamoyl)-4-iodo-6-methylphenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]-3-[[5-(trifluoromethyl)tetrazol-1-yl]methyl]pyrazole-5-carboxamide

N-[2-(cyclopropylcarbamoyl)-4-iodo-6-methylphenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]-3-[[5-(trifluoromethyl)tetrazol-1-yl]methyl]pyrazole-5-carboxamide (PubChem CID 59530486) has the molecular formula C24H18F6IN9O2 and a molecular weight of 705.36 g/mol. Its IUPAC name is N-[2-(cyclopropylcarbamoyl)-4-iodo-6-methylphenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]-3-[[5-(trifluoromethyl)tetrazol-1-yl]methyl]pyrazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[2-(cyclopropylcarbamoyl)-4-iodo-6-methylphenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]-3-[[5-(trifluoromethyl)tetrazol-1-yl]methyl]pyrazole-5-carboxamide
• PubChem CID: 59530486
• Molecular Formula: C24H18F6IN9O2
• Molecular Weight: 705.36 g/mol
• Exact Mass: 705.05
• IUPAC Name: N-[2-(cyclopropylcarbamoyl)-4-iodo-6-methylphenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]-3-[[5-(trifluoromethyl)tetrazol-1-yl]methyl]pyrazole-5-carboxamide
• SMILES: Cc1cc(I)cc(C(=O)NC2CC2)c1NC(=O)c1cc(Cn2nnnc2C(F)(F)F)nn1-c1ncccc1C(F)(F)F
• InChI: InChI=1S/C24H18F6IN9O2/c1-11-7-12(31)8-15(20(41)33-13-4-5-13)18(11)34-21(42)17-9-14(10-39-22(24(28,29)30)35-37-38-39)36-40(17)19-16(23(25,26)27)3-2-6-32-19/h2-3,6-9,13H,4-5,10H2,1H3,(H,33,41)(H,34,42)
• InChIKey: GQYDLDYRBDWCEX-UHFFFAOYSA-N
• XLogP: 4.40
• TPSA: 132.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	705.36
LogP ≤ 5	4.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylcarbamoyl)-4-iodo-6-methylphenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]-3-[[5-(trifluoromethyl)tetrazol-1-yl]methyl]pyrazole-5-carboxamide?

The IUPAC name of N-[2-(cyclopropylcarbamoyl)-4-iodo-6-methylphenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]-3-[[5-(trifluoromethyl)tetrazol-1-yl]methyl]pyrazole-5-carboxamide (CID 59530486) is N-[2-(cyclopropylcarbamoyl)-4-iodo-6-methylphenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]-3-[[5-(trifluoromethyl)tetrazol-1-yl]methyl]pyrazole-5-carboxamide.

What is the SMILES notation for N-[2-(cyclopropylcarbamoyl)-4-iodo-6-methylphenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]-3-[[5-(trifluoromethyl)tetrazol-1-yl]methyl]pyrazole-5-carboxamide?

The canonical SMILES for N-[2-(cyclopropylcarbamoyl)-4-iodo-6-methylphenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]-3-[[5-(trifluoromethyl)tetrazol-1-yl]methyl]pyrazole-5-carboxamide is Cc1cc(I)cc(C(=O)NC2CC2)c1NC(=O)c1cc(Cn2nnnc2C(F)(F)F)nn1-c1ncccc1C(F)(F)F.

What is the InChIKey of N-[2-(cyclopropylcarbamoyl)-4-iodo-6-methylphenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]-3-[[5-(trifluoromethyl)tetrazol-1-yl]methyl]pyrazole-5-carboxamide?

The InChIKey is GQYDLDYRBDWCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F6IN9O2/c1-11-7-12(31)8-15(20(41)33-13-4-5-13)18(11)34-21(42)17-9-14(10-39-22(24(28,29)30)35-37-38-39)36-40(17)19-16(23(25,26)27)3-2-6-32-19/h2-3,6-9,13H,4-5,10H2,1H3,(H,33,41)(H,34,42).

What are the key properties of N-[2-(cyclopropylcarbamoyl)-4-iodo-6-methylphenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]-3-[[5-(trifluoromethyl)tetrazol-1-yl]methyl]pyrazole-5-carboxamide?

N-[2-(cyclopropylcarbamoyl)-4-iodo-6-methylphenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]-3-[[5-(trifluoromethyl)tetrazol-1-yl]methyl]pyrazole-5-carboxamide has a molecular weight of 705.36 g/mol, XLogP of 4.40, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(cyclopropylcarbamoyl)-4-iodo-6-methylphenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]-3-[[5-(trifluoromethyl)tetrazol-1-yl]methyl]pyrazole-5-carboxamide is sourced from PubChem (CID 59530486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).