N-[2-(2-methylpropyl)pyrazol-3-yl]-4-(trifluoromethoxy)benzamide

C15H16F3N3O2 — CID 134014290

IUPACN-[2-(2-methylpropyl)pyrazol-3-yl]-4-(trifluoromethoxy)benzamide
SMILESCC(C)Cn1nccc1NC(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H16F3N3O2/c1-10(2)9-21-13(7-8-19-21)20-14(22)11-3-5-12(6-4-11)23-15(16,17)18/h3-8,10H,9H2,1-2H3,(H,20,22)
InChIKeyVOVJVSXJNLIKFG-UHFFFAOYSA-N
MW327.31 g/mol
LogP3.69
Rot. Bonds5

About N-[2-(2-methylpropyl)pyrazol-3-yl]-4-(trifluoromethoxy)benzamide

N-[2-(2-methylpropyl)pyrazol-3-yl]-4-(trifluoromethoxy)benzamide (PubChem CID 134014290) has the molecular formula C15H16F3N3O2 and a molecular weight of 327.31 g/mol. Its IUPAC name is N-[2-(2-methylpropyl)pyrazol-3-yl]-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[2-(2-methylpropyl)pyrazol-3-yl]-4-(trifluoromethoxy)benzamide
PubChem CID134014290
Molecular FormulaC15H16F3N3O2
Molecular Weight327.31 g/mol
Exact Mass327.12
IUPAC NameN-[2-(2-methylpropyl)pyrazol-3-yl]-4-(trifluoromethoxy)benzamide
SMILESCC(C)Cn1nccc1NC(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H16F3N3O2/c1-10(2)9-21-13(7-8-19-21)20-14(22)11-3-5-12(6-4-11)23-15(16,17)18/h3-8,10H,9H2,1-2H3,(H,20,22)
InChIKeyVOVJVSXJNLIKFG-UHFFFAOYSA-N
XLogP3.69
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-N-[2-(2-methylpropyl)pyrazol-3-yl]benzamide
CID 35439410
N-[2-(2-methylpropyl)pyrazol-3-yl]-3,4-dipropoxybenzamide
CID 134014296
3-cyano-N-[2-(2-methylpropyl)pyrazol-3-yl]benzamide
CID 35324088
4-[(2-methylphenyl)sulfamoyl]-N-[2-(2-methylpropyl)pyrazol-3-yl]benzamide
CID 35441791
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-(trifluoromethoxy)benzamide
CID 26068513
N-(3-methyl-1,2,4-oxadiazol-5-yl)-4-(trifluoromethoxy)benzamide
CID 47045451
4-tert-butyl-N-(2-propan-2-ylpyrazol-3-yl)benzamide
CID 30182601
ethane;4-(trifluoromethoxy)benzohydrazide
CID 144580536
3-chloro-5-methoxy-N-[2-(2-methylpropyl)pyrazol-3-yl]-4-propoxybenzamide
CID 134014331
N-(4-butan-2-ylphenyl)-4-(trifluoromethoxy)benzamide
CID 3323954
N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-4-(difluoromethoxy)benzamide
CID 24525267
4-(trifluoromethoxy)-N-[8-[[4-(trifluoromethoxy)benzoyl]amino]nonan-2-yl]benzamide
CID 21452885

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpropyl)pyrazol-3-yl]-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-[2-(2-methylpropyl)pyrazol-3-yl]-4-(trifluoromethoxy)benzamide (CID 134014290) is N-[2-(2-methylpropyl)pyrazol-3-yl]-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[2-(2-methylpropyl)pyrazol-3-yl]-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[2-(2-methylpropyl)pyrazol-3-yl]-4-(trifluoromethoxy)benzamide is CC(C)Cn1nccc1NC(=O)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[2-(2-methylpropyl)pyrazol-3-yl]-4-(trifluoromethoxy)benzamide?
The InChIKey is VOVJVSXJNLIKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O2/c1-10(2)9-21-13(7-8-19-21)20-14(22)11-3-5-12(6-4-11)23-15(16,17)18/h3-8,10H,9H2,1-2H3,(H,20,22).
What are the key properties of N-[2-(2-methylpropyl)pyrazol-3-yl]-4-(trifluoromethoxy)benzamide?
N-[2-(2-methylpropyl)pyrazol-3-yl]-4-(trifluoromethoxy)benzamide has a molecular weight of 327.31 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpropyl)pyrazol-3-yl]-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 134014290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).