4-chloro-N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;4-chloro-1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl chloride;dichloromethane;5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-amine

C31H29Cl5F6N14O2 — CID 157121288

About 4-chloro-N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;4-chloro-1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl chloride;dichloromethane;5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-amine

4-chloro-N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;4-chloro-1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl chloride;dichloromethane;5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-amine (PubChem CID 157121288) has the molecular formula C31H29Cl5F6N14O2 and a molecular weight of 920.92 g/mol. Its IUPAC name is 4-chloro-N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;4-chloro-1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl chloride;dichloromethane;5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-amine.

Molecular Properties

• Compound Name: 4-chloro-N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;4-chloro-1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl chloride;dichloromethane;5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-amine
• PubChem CID: 157121288
• Molecular Formula: C31H29Cl5F6N14O2
• Molecular Weight: 920.92 g/mol
• Exact Mass: 918.09
• IUPAC Name: 4-chloro-N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;4-chloro-1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl chloride;dichloromethane;5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-amine
• SMILES: Cc1cc(-c2cnc(N)cn2)n(C)n1.Cc1cc(-c2cnc(NC(=O)c3c(Cl)c(C(F)(F)F)nn3C)cn2)n(C)n1.ClCCl.Cn1nc(C(F)(F)F)c(Cl)c1C(=O)Cl
• InChI: InChI=1S/C15H13ClF3N7O.C9H11N5.C6H3Cl2F3N2O.CH2Cl2/c1-7-4-9(25(2)23-7)8-5-21-10(6-20-8)22-14(27)12-11(16)13(15(17,18)19)24-26(12)3;1-6-3-8(14(2)13-6)7-4-12-9(10)5-11-7;1-13-3(5(8)14)2(7)4(12-13)6(9,10)11;2-1-3/h4-6H,1-3H3,(H,21,22,27);3-5H,1-2H3,(H2,10,12);1H3;1H2
• InChIKey: AHZRYWNMBPZXQX-UHFFFAOYSA-N
• XLogP: 7.50
• TPSA: 195.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 15
• Rotatable Bonds: 5
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	920.92
LogP ≤ 5	7.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;4-chloro-1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl chloride;dichloromethane;5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-amine?

The IUPAC name of 4-chloro-N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;4-chloro-1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl chloride;dichloromethane;5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-amine (CID 157121288) is 4-chloro-N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;4-chloro-1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl chloride;dichloromethane;5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-amine.

What is the SMILES notation for 4-chloro-N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;4-chloro-1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl chloride;dichloromethane;5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-amine?

The canonical SMILES for 4-chloro-N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;4-chloro-1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl chloride;dichloromethane;5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-amine is Cc1cc(-c2cnc(N)cn2)n(C)n1.Cc1cc(-c2cnc(NC(=O)c3c(Cl)c(C(F)(F)F)nn3C)cn2)n(C)n1.ClCCl.Cn1nc(C(F)(F)F)c(Cl)c1C(=O)Cl.

What is the InChIKey of 4-chloro-N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;4-chloro-1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl chloride;dichloromethane;5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-amine?

The InChIKey is AHZRYWNMBPZXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3N7O.C9H11N5.C6H3Cl2F3N2O.CH2Cl2/c1-7-4-9(25(2)23-7)8-5-21-10(6-20-8)22-14(27)12-11(16)13(15(17,18)19)24-26(12)3;1-6-3-8(14(2)13-6)7-4-12-9(10)5-11-7;1-13-3(5(8)14)2(7)4(12-13)6(9,10)11;2-1-3/h4-6H,1-3H3,(H,21,22,27);3-5H,1-2H3,(H2,10,12);1H3;1H2.

What are the key properties of 4-chloro-N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;4-chloro-1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl chloride;dichloromethane;5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-amine?

4-chloro-N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;4-chloro-1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl chloride;dichloromethane;5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-amine has a molecular weight of 920.92 g/mol, XLogP of 7.50, 5 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;4-chloro-1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl chloride;dichloromethane;5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-amine is sourced from PubChem (CID 157121288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).