5-chloro-N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-methoxybenzamide

C16H16Cl2F3N3O2 — CID 19326123

IUPAC5-chloro-N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCCCn1nc(C(F)(F)F)c(Cl)c1C
InChIInChI=1S/C16H16Cl2F3N3O2/c1-9-13(18)14(16(19,20)21)23-24(9)7-3-6-22-15(25)11-8-10(17)4-5-12(11)26-2/h4-5,8H,3,6-7H2,1-2H3,(H,22,25)
InChIKeyAFYRAQAVHYTRLR-UHFFFAOYSA-N
MW410.22 g/mol
LogP4.35
Rot. Bonds6

About 5-chloro-N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-methoxybenzamide

5-chloro-N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-methoxybenzamide (PubChem CID 19326123) has the molecular formula C16H16Cl2F3N3O2 and a molecular weight of 410.22 g/mol. Its IUPAC name is 5-chloro-N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-chloro-N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-methoxybenzamide
PubChem CID19326123
Molecular FormulaC16H16Cl2F3N3O2
Molecular Weight410.22 g/mol
Exact Mass409.06
IUPAC Name5-chloro-N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCCCn1nc(C(F)(F)F)c(Cl)c1C
InChIInChI=1S/C16H16Cl2F3N3O2/c1-9-13(18)14(16(19,20)21)23-24(9)7-3-6-22-15(25)11-8-10(17)4-5-12(11)26-2/h4-5,8H,3,6-7H2,1-2H3,(H,22,25)
InChIKeyAFYRAQAVHYTRLR-UHFFFAOYSA-N
XLogP4.35
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.22
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-methoxybenzamide?
The IUPAC name of 5-chloro-N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-methoxybenzamide (CID 19326123) is 5-chloro-N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-methoxybenzamide.
What is the SMILES notation for 5-chloro-N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-methoxybenzamide?
The canonical SMILES for 5-chloro-N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-methoxybenzamide is COc1ccc(Cl)cc1C(=O)NCCCn1nc(C(F)(F)F)c(Cl)c1C.
What is the InChIKey of 5-chloro-N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-methoxybenzamide?
The InChIKey is AFYRAQAVHYTRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2F3N3O2/c1-9-13(18)14(16(19,20)21)23-24(9)7-3-6-22-15(25)11-8-10(17)4-5-12(11)26-2/h4-5,8H,3,6-7H2,1-2H3,(H,22,25).
What are the key properties of 5-chloro-N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-methoxybenzamide?
5-chloro-N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-methoxybenzamide has a molecular weight of 410.22 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-methoxybenzamide is sourced from PubChem (CID 19326123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).