N-(2-carbamoyl-4-chloro-6-methylphenyl)-2-(3-chloro-2-pyridinyl)-3-methyl-5-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]-4H-pyrazole-3-carboxamide

C21H18Cl2F3N9O2 — CID 163501497

About N-(2-carbamoyl-4-chloro-6-methylphenyl)-2-(3-chloro-2-pyridinyl)-3-methyl-5-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]-4H-pyrazole-3-carboxamide

N-(2-carbamoyl-4-chloro-6-methylphenyl)-2-(3-chloro-2-pyridinyl)-3-methyl-5-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]-4H-pyrazole-3-carboxamide (PubChem CID 163501497) has the molecular formula C21H18Cl2F3N9O2 and a molecular weight of 556.34 g/mol. Its IUPAC name is N-(2-carbamoyl-4-chloro-6-methylphenyl)-2-(3-chloro-2-pyridinyl)-3-methyl-5-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]-4H-pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: N-(2-carbamoyl-4-chloro-6-methylphenyl)-2-(3-chloro-2-pyridinyl)-3-methyl-5-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]-4H-pyrazole-3-carboxamide
• PubChem CID: 163501497
• Molecular Formula: C21H18Cl2F3N9O2
• Molecular Weight: 556.34 g/mol
• Exact Mass: 555.09
• IUPAC Name: N-(2-carbamoyl-4-chloro-6-methylphenyl)-2-(3-chloro-2-pyridinyl)-3-methyl-5-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]-4H-pyrazole-3-carboxamide
• SMILES: Cc1cc(Cl)cc(C(N)=O)c1NC(=O)C1(C)CC(Cn2nnc(C(F)(F)F)n2)=NN1c1ncccc1Cl
• InChI: InChI=1S/C21H18Cl2F3N9O2/c1-10-6-11(22)7-13(16(27)36)15(10)29-19(37)20(2)8-12(9-34-32-18(30-33-34)21(24,25)26)31-35(20)17-14(23)4-3-5-28-17/h3-7H,8-9H2,1-2H3,(H2,27,36)(H,29,37)
• InChIKey: CVCYUTGOZPRBDE-UHFFFAOYSA-N
• XLogP: 3.46
• TPSA: 144.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	556.34
LogP ≤ 5	3.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of N-(2-carbamoyl-4-chloro-6-methylphenyl)-2-(3-chloro-2-pyridinyl)-3-methyl-5-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]-4H-pyrazole-3-carboxamide (CID 163501497) is N-(2-carbamoyl-4-chloro-6-methylphenyl)-2-(3-chloro-2-pyridinyl)-3-methyl-5-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]-4H-pyrazole-3-carboxamide.

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

The canonical SMILES for N-(2-carbamoyl-4-chloro-6-methylphenyl)-2-(3-chloro-2-pyridinyl)-3-methyl-5-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]-4H-pyrazole-3-carboxamide is Cc1cc(Cl)cc(C(N)=O)c1NC(=O)C1(C)CC(Cn2nnc(C(F)(F)F)n2)=NN1c1ncccc1Cl.

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

The InChIKey is CVCYUTGOZPRBDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Cl2F3N9O2/c1-10-6-11(22)7-13(16(27)36)15(10)29-19(37)20(2)8-12(9-34-32-18(30-33-34)21(24,25)26)31-35(20)17-14(23)4-3-5-28-17/h3-7H,8-9H2,1-2H3,(H2,27,36)(H,29,37).

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

N-(2-carbamoyl-4-chloro-6-methylphenyl)-2-(3-chloro-2-pyridinyl)-3-methyl-5-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]-4H-pyrazole-3-carboxamide has a molecular weight of 556.34 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-carbamoyl-4-chloro-6-methylphenyl)-2-(3-chloro-2-pyridinyl)-3-methyl-5-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]-4H-pyrazole-3-carboxamide is sourced from PubChem (CID 163501497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).