N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-1-[(2,6-dichlorophenoxy)methyl]pyrazole-3-carboxamide

C19H17Cl3F3N5O2 — CID 19326112

About N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-1-[(2,6-dichlorophenoxy)methyl]pyrazole-3-carboxamide

N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-1-[(2,6-dichlorophenoxy)methyl]pyrazole-3-carboxamide (PubChem CID 19326112) has the molecular formula C19H17Cl3F3N5O2 and a molecular weight of 510.73 g/mol. Its IUPAC name is N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-1-[(2,6-dichlorophenoxy)methyl]pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-1-[(2,6-dichlorophenoxy)methyl]pyrazole-3-carboxamide
• PubChem CID: 19326112
• Molecular Formula: C19H17Cl3F3N5O2
• Molecular Weight: 510.73 g/mol
• Exact Mass: 509.04
• IUPAC Name: N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-1-[(2,6-dichlorophenoxy)methyl]pyrazole-3-carboxamide
• SMILES: Cc1c(Cl)c(C(F)(F)F)nn1CCCNC(=O)c1ccn(COc2c(Cl)cccc2Cl)n1
• InChI: InChI=1S/C19H17Cl3F3N5O2/c1-11-15(22)17(19(23,24)25)28-30(11)8-3-7-26-18(31)14-6-9-29(27-14)10-32-16-12(20)4-2-5-13(16)21/h2,4-6,9H,3,7-8,10H2,1H3,(H,26,31)
• InChIKey: JOTUTSAQPLMDMH-UHFFFAOYSA-N
• XLogP: 5.22
• TPSA: 73.97 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	510.73
LogP ≤ 5	5.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-1-[(2,6-dichlorophenoxy)methyl]pyrazole-3-carboxamide?

The IUPAC name of N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-1-[(2,6-dichlorophenoxy)methyl]pyrazole-3-carboxamide (CID 19326112) is N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-1-[(2,6-dichlorophenoxy)methyl]pyrazole-3-carboxamide.

What is the SMILES notation for N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-1-[(2,6-dichlorophenoxy)methyl]pyrazole-3-carboxamide?

The canonical SMILES for N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-1-[(2,6-dichlorophenoxy)methyl]pyrazole-3-carboxamide is Cc1c(Cl)c(C(F)(F)F)nn1CCCNC(=O)c1ccn(COc2c(Cl)cccc2Cl)n1.

What is the InChIKey of N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-1-[(2,6-dichlorophenoxy)methyl]pyrazole-3-carboxamide?

The InChIKey is JOTUTSAQPLMDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl3F3N5O2/c1-11-15(22)17(19(23,24)25)28-30(11)8-3-7-26-18(31)14-6-9-29(27-14)10-32-16-12(20)4-2-5-13(16)21/h2,4-6,9H,3,7-8,10H2,1H3,(H,26,31).

What are the key properties of N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-1-[(2,6-dichlorophenoxy)methyl]pyrazole-3-carboxamide?

N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-1-[(2,6-dichlorophenoxy)methyl]pyrazole-3-carboxamide has a molecular weight of 510.73 g/mol, XLogP of 5.22, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-1-[(2,6-dichlorophenoxy)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 19326112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).