N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(1,1,2,2-tetrafluoroethoxy)benzamide

C16H17F4N3O2 — CID 135104084

IUPACN-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(1,1,2,2-tetrafluoroethoxy)benzamide
SMILESCc1c(C(C)NC(=O)c2ccccc2OC(F)(F)C(F)F)cnn1C
InChIInChI=1S/C16H17F4N3O2/c1-9(12-8-21-23(3)10(12)2)22-14(24)11-6-4-5-7-13(11)25-16(19,20)15(17)18/h4-9,15H,1-3H3,(H,22,24)
InChIKeyQXHZKUGQOZBTBC-UHFFFAOYSA-N
MW359.32 g/mol
LogP3.46
Rot. Bonds6

About N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(1,1,2,2-tetrafluoroethoxy)benzamide

N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(1,1,2,2-tetrafluoroethoxy)benzamide (PubChem CID 135104084) has the molecular formula C16H17F4N3O2 and a molecular weight of 359.32 g/mol. Its IUPAC name is N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(1,1,2,2-tetrafluoroethoxy)benzamide.

Molecular Properties

Compound NameN-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(1,1,2,2-tetrafluoroethoxy)benzamide
PubChem CID135104084
Molecular FormulaC16H17F4N3O2
Molecular Weight359.32 g/mol
Exact Mass359.13
IUPAC NameN-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(1,1,2,2-tetrafluoroethoxy)benzamide
SMILESCc1c(C(C)NC(=O)c2ccccc2OC(F)(F)C(F)F)cnn1C
InChIInChI=1S/C16H17F4N3O2/c1-9(12-8-21-23(3)10(12)2)22-14(24)11-6-4-5-7-13(11)25-16(19,20)15(17)18/h4-9,15H,1-3H3,(H,22,24)
InChIKeyQXHZKUGQOZBTBC-UHFFFAOYSA-N
XLogP3.46
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.32
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(1,1,2,2-tetrafluoroethoxy)benzamide?
The IUPAC name of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(1,1,2,2-tetrafluoroethoxy)benzamide (CID 135104084) is N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(1,1,2,2-tetrafluoroethoxy)benzamide.
What is the SMILES notation for N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(1,1,2,2-tetrafluoroethoxy)benzamide?
The canonical SMILES for N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(1,1,2,2-tetrafluoroethoxy)benzamide is Cc1c(C(C)NC(=O)c2ccccc2OC(F)(F)C(F)F)cnn1C.
What is the InChIKey of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(1,1,2,2-tetrafluoroethoxy)benzamide?
The InChIKey is QXHZKUGQOZBTBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F4N3O2/c1-9(12-8-21-23(3)10(12)2)22-14(24)11-6-4-5-7-13(11)25-16(19,20)15(17)18/h4-9,15H,1-3H3,(H,22,24).
What are the key properties of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(1,1,2,2-tetrafluoroethoxy)benzamide?
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(1,1,2,2-tetrafluoroethoxy)benzamide has a molecular weight of 359.32 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(1,1,2,2-tetrafluoroethoxy)benzamide is sourced from PubChem (CID 135104084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).