N-(1-methylpyrazol-3-yl)-3-(2,2,3,3-tetrafluoropropoxymethyl)benzamide

C15H15F4N3O2 — CID 19405030

IUPACN-(1-methylpyrazol-3-yl)-3-(2,2,3,3-tetrafluoropropoxymethyl)benzamide
SMILESCn1ccc(NC(=O)c2cccc(COCC(F)(F)C(F)F)c2)n1
InChIInChI=1S/C15H15F4N3O2/c1-22-6-5-12(21-22)20-13(23)11-4-2-3-10(7-11)8-24-9-15(18,19)14(16)17/h2-7,14H,8-9H2,1H3,(H,20,21,23)
InChIKeyQIXXMLPBXABITJ-UHFFFAOYSA-N
MW345.30 g/mol
LogP3.09
Rot. Bonds7

About N-(1-methylpyrazol-3-yl)-3-(2,2,3,3-tetrafluoropropoxymethyl)benzamide

N-(1-methylpyrazol-3-yl)-3-(2,2,3,3-tetrafluoropropoxymethyl)benzamide (PubChem CID 19405030) has the molecular formula C15H15F4N3O2 and a molecular weight of 345.30 g/mol. Its IUPAC name is N-(1-methylpyrazol-3-yl)-3-(2,2,3,3-tetrafluoropropoxymethyl)benzamide.

Molecular Properties

Compound NameN-(1-methylpyrazol-3-yl)-3-(2,2,3,3-tetrafluoropropoxymethyl)benzamide
PubChem CID19405030
Molecular FormulaC15H15F4N3O2
Molecular Weight345.30 g/mol
Exact Mass345.11
IUPAC NameN-(1-methylpyrazol-3-yl)-3-(2,2,3,3-tetrafluoropropoxymethyl)benzamide
SMILESCn1ccc(NC(=O)c2cccc(COCC(F)(F)C(F)F)c2)n1
InChIInChI=1S/C15H15F4N3O2/c1-22-6-5-12(21-22)20-13(23)11-4-2-3-10(7-11)8-24-9-15(18,19)14(16)17/h2-7,14H,8-9H2,1H3,(H,20,21,23)
InChIKeyQIXXMLPBXABITJ-UHFFFAOYSA-N
XLogP3.09
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.30
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-3-yl]-3-(2,2,3,3-tetrafluoropropoxymethyl)benzamide
CID 19286751
N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-(2,2,3,3-tetrafluoropropoxymethyl)benzamide
CID 19285860
N-[3,5-dimethyl-1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-4-yl]-3-(2,2,3,3-tetrafluoropropoxymethyl)benzamide
CID 19401967
3-(2,2,3,3-tetrafluoropropoxymethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 19282185
1-ethyl-N-methyl-4-[[3-(2,2,3,3-tetrafluoropropoxymethyl)benzoyl]amino]pyrazole-3-carboxamide
CID 19410736
N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-(2,2,3,3-tetrafluoropropoxymethyl)benzamide
CID 19284224
N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]-3-(2,2,3,3-tetrafluoropropoxymethyl)benzamide
CID 19400086
N-(2,4-dimethyl-6-oxo-1-pyridinyl)-3-(2,2,3,3-tetrafluoropropoxymethyl)benzamide
CID 4775827
N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-(2,2,2-trifluoroethoxymethyl)benzamide
CID 19398919
N-(furan-2-ylmethyl)-1-methyl-4-[[3-(2,2,3,3-tetrafluoropropoxymethyl)benzoyl]amino]pyrazole-5-carboxamide
CID 19398075
1-(2-ethylphenyl)-3-[[3-(2,2,3,3-tetrafluoropropoxymethyl)benzoyl]amino]thiourea
CID 4866990
N-[2-(4-nitropyrazol-1-yl)ethyl]-3-(2,2,3,3-tetrafluoropropoxymethyl)benzamide
CID 19574724

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-3-yl)-3-(2,2,3,3-tetrafluoropropoxymethyl)benzamide?
The IUPAC name of N-(1-methylpyrazol-3-yl)-3-(2,2,3,3-tetrafluoropropoxymethyl)benzamide (CID 19405030) is N-(1-methylpyrazol-3-yl)-3-(2,2,3,3-tetrafluoropropoxymethyl)benzamide.
What is the SMILES notation for N-(1-methylpyrazol-3-yl)-3-(2,2,3,3-tetrafluoropropoxymethyl)benzamide?
The canonical SMILES for N-(1-methylpyrazol-3-yl)-3-(2,2,3,3-tetrafluoropropoxymethyl)benzamide is Cn1ccc(NC(=O)c2cccc(COCC(F)(F)C(F)F)c2)n1.
What is the InChIKey of N-(1-methylpyrazol-3-yl)-3-(2,2,3,3-tetrafluoropropoxymethyl)benzamide?
The InChIKey is QIXXMLPBXABITJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F4N3O2/c1-22-6-5-12(21-22)20-13(23)11-4-2-3-10(7-11)8-24-9-15(18,19)14(16)17/h2-7,14H,8-9H2,1H3,(H,20,21,23).
What are the key properties of N-(1-methylpyrazol-3-yl)-3-(2,2,3,3-tetrafluoropropoxymethyl)benzamide?
N-(1-methylpyrazol-3-yl)-3-(2,2,3,3-tetrafluoropropoxymethyl)benzamide has a molecular weight of 345.30 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrazol-3-yl)-3-(2,2,3,3-tetrafluoropropoxymethyl)benzamide is sourced from PubChem (CID 19405030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).