1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-3-carboxamide

C18H21ClF3N7O — CID 19272108

About 1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-3-carboxamide

1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-3-carboxamide (PubChem CID 19272108) has the molecular formula C18H21ClF3N7O and a molecular weight of 443.86 g/mol. Its IUPAC name is 1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-3-carboxamide
• PubChem CID: 19272108
• Molecular Formula: C18H21ClF3N7O
• Molecular Weight: 443.86 g/mol
• Exact Mass: 443.14
• IUPAC Name: 1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-3-carboxamide
• SMILES: Cc1nn(Cn2ccc(C(=O)NCCCn3nc(C(F)(F)F)cc3C)n2)c(C)c1Cl
• InChI: InChI=1S/C18H21ClF3N7O/c1-11-9-15(18(20,21)22)26-28(11)7-4-6-23-17(30)14-5-8-27(25-14)10-29-13(3)16(19)12(2)24-29/h5,8-9H,4,6-7,10H2,1-3H3,(H,23,30)
• InChIKey: CGZHWNWSQOERGE-UHFFFAOYSA-N
• XLogP: 3.20
• TPSA: 82.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.86
LogP ≤ 5	3.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-3-carboxamide?

The IUPAC name of 1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-3-carboxamide (CID 19272108) is 1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-3-carboxamide.

What is the SMILES notation for 1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-3-carboxamide?

The canonical SMILES for 1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-3-carboxamide is Cc1nn(Cn2ccc(C(=O)NCCCn3nc(C(F)(F)F)cc3C)n2)c(C)c1Cl.

What is the InChIKey of 1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-3-carboxamide?

The InChIKey is CGZHWNWSQOERGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClF3N7O/c1-11-9-15(18(20,21)22)26-28(11)7-4-6-23-17(30)14-5-8-27(25-14)10-29-13(3)16(19)12(2)24-29/h5,8-9H,4,6-7,10H2,1-3H3,(H,23,30).

What are the key properties of 1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-3-carboxamide?

1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-3-carboxamide has a molecular weight of 443.86 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-3-carboxamide is sourced from PubChem (CID 19272108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).