N-[2-(tert-butylcarbamoyl)-4-chloro-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-[1-[5-(trifluoromethyl)tetrazol-1-yl]ethyl]pyrazole-5-carboxamide

C25H24Cl2F3N9O2 — CID 59530182

About N-[2-(tert-butylcarbamoyl)-4-chloro-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-[1-[5-(trifluoromethyl)tetrazol-1-yl]ethyl]pyrazole-5-carboxamide

N-[2-(tert-butylcarbamoyl)-4-chloro-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-[1-[5-(trifluoromethyl)tetrazol-1-yl]ethyl]pyrazole-5-carboxamide (PubChem CID 59530182) has the molecular formula C25H24Cl2F3N9O2 and a molecular weight of 610.43 g/mol. Its IUPAC name is N-[2-(tert-butylcarbamoyl)-4-chloro-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-[1-[5-(trifluoromethyl)tetrazol-1-yl]ethyl]pyrazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[2-(tert-butylcarbamoyl)-4-chloro-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-[1-[5-(trifluoromethyl)tetrazol-1-yl]ethyl]pyrazole-5-carboxamide
• PubChem CID: 59530182
• Molecular Formula: C25H24Cl2F3N9O2
• Molecular Weight: 610.43 g/mol
• Exact Mass: 609.14
• IUPAC Name: N-[2-(tert-butylcarbamoyl)-4-chloro-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-[1-[5-(trifluoromethyl)tetrazol-1-yl]ethyl]pyrazole-5-carboxamide
• SMILES: Cc1cc(Cl)cc(C(=O)NC(C)(C)C)c1NC(=O)c1cc(C(C)n2nnnc2C(F)(F)F)nn1-c1ncccc1Cl
• InChI: InChI=1S/C25H24Cl2F3N9O2/c1-12-9-14(26)10-15(21(40)33-24(3,4)5)19(12)32-22(41)18-11-17(35-39(18)20-16(27)7-6-8-31-20)13(2)38-23(25(28,29)30)34-36-37-38/h6-11,13H,1-5H3,(H,32,41)(H,33,40)
• InChIKey: IKPFNGARGWAVMT-UHFFFAOYSA-N
• XLogP: 5.28
• TPSA: 132.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	610.43
LogP ≤ 5	5.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylcarbamoyl)-4-chloro-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-[1-[5-(trifluoromethyl)tetrazol-1-yl]ethyl]pyrazole-5-carboxamide?

The IUPAC name of N-[2-(tert-butylcarbamoyl)-4-chloro-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-[1-[5-(trifluoromethyl)tetrazol-1-yl]ethyl]pyrazole-5-carboxamide (CID 59530182) is N-[2-(tert-butylcarbamoyl)-4-chloro-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-[1-[5-(trifluoromethyl)tetrazol-1-yl]ethyl]pyrazole-5-carboxamide.

What is the SMILES notation for N-[2-(tert-butylcarbamoyl)-4-chloro-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-[1-[5-(trifluoromethyl)tetrazol-1-yl]ethyl]pyrazole-5-carboxamide?

The canonical SMILES for N-[2-(tert-butylcarbamoyl)-4-chloro-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-[1-[5-(trifluoromethyl)tetrazol-1-yl]ethyl]pyrazole-5-carboxamide is Cc1cc(Cl)cc(C(=O)NC(C)(C)C)c1NC(=O)c1cc(C(C)n2nnnc2C(F)(F)F)nn1-c1ncccc1Cl.

What is the InChIKey of N-[2-(tert-butylcarbamoyl)-4-chloro-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-[1-[5-(trifluoromethyl)tetrazol-1-yl]ethyl]pyrazole-5-carboxamide?

The InChIKey is IKPFNGARGWAVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24Cl2F3N9O2/c1-12-9-14(26)10-15(21(40)33-24(3,4)5)19(12)32-22(41)18-11-17(35-39(18)20-16(27)7-6-8-31-20)13(2)38-23(25(28,29)30)34-36-37-38/h6-11,13H,1-5H3,(H,32,41)(H,33,40).

What are the key properties of N-[2-(tert-butylcarbamoyl)-4-chloro-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-[1-[5-(trifluoromethyl)tetrazol-1-yl]ethyl]pyrazole-5-carboxamide?

N-[2-(tert-butylcarbamoyl)-4-chloro-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-[1-[5-(trifluoromethyl)tetrazol-1-yl]ethyl]pyrazole-5-carboxamide has a molecular weight of 610.43 g/mol, XLogP of 5.28, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(tert-butylcarbamoyl)-4-chloro-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-[1-[5-(trifluoromethyl)tetrazol-1-yl]ethyl]pyrazole-5-carboxamide is sourced from PubChem (CID 59530182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).