N-[1-(2,4-dichlorophenyl)propan-2-yl]-N-methoxy-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide

C16H16Cl2F3N3O2 — CID 88877150

IUPACN-[1-(2,4-dichlorophenyl)propan-2-yl]-N-methoxy-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCON(C(=O)c1cn(C)nc1C(F)(F)F)C(C)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H16Cl2F3N3O2/c1-9(6-10-4-5-11(17)7-13(10)18)24(26-3)15(25)12-8-23(2)22-14(12)16(19,20)21/h4-5,7-9H,6H2,1-3H3
InChIKeyMMACCIHEDZYGJX-UHFFFAOYSA-N
MW410.22 g/mol
LogP4.38
Rot. Bonds5

About N-[1-(2,4-dichlorophenyl)propan-2-yl]-N-methoxy-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide

N-[1-(2,4-dichlorophenyl)propan-2-yl]-N-methoxy-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 88877150) has the molecular formula C16H16Cl2F3N3O2 and a molecular weight of 410.22 g/mol. Its IUPAC name is N-[1-(2,4-dichlorophenyl)propan-2-yl]-N-methoxy-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2,4-dichlorophenyl)propan-2-yl]-N-methoxy-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID88877150
Molecular FormulaC16H16Cl2F3N3O2
Molecular Weight410.22 g/mol
Exact Mass409.06
IUPAC NameN-[1-(2,4-dichlorophenyl)propan-2-yl]-N-methoxy-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCON(C(=O)c1cn(C)nc1C(F)(F)F)C(C)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H16Cl2F3N3O2/c1-9(6-10-4-5-11(17)7-13(10)18)24(26-3)15(25)12-8-23(2)22-14(12)16(19,20)21/h4-5,7-9H,6H2,1-3H3
InChIKeyMMACCIHEDZYGJX-UHFFFAOYSA-N
XLogP4.38
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.22
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dichlorophenyl)propan-2-yl]-N-methoxy-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-[1-(2,4-dichlorophenyl)propan-2-yl]-N-methoxy-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide (CID 88877150) is N-[1-(2,4-dichlorophenyl)propan-2-yl]-N-methoxy-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[1-(2,4-dichlorophenyl)propan-2-yl]-N-methoxy-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[1-(2,4-dichlorophenyl)propan-2-yl]-N-methoxy-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide is CON(C(=O)c1cn(C)nc1C(F)(F)F)C(C)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[1-(2,4-dichlorophenyl)propan-2-yl]-N-methoxy-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is MMACCIHEDZYGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2F3N3O2/c1-9(6-10-4-5-11(17)7-13(10)18)24(26-3)15(25)12-8-23(2)22-14(12)16(19,20)21/h4-5,7-9H,6H2,1-3H3.
What are the key properties of N-[1-(2,4-dichlorophenyl)propan-2-yl]-N-methoxy-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
N-[1-(2,4-dichlorophenyl)propan-2-yl]-N-methoxy-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 410.22 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dichlorophenyl)propan-2-yl]-N-methoxy-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 88877150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).