3-(difluoromethoxy)-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]benzamide

C15H17F2N3O2 — CID 19466850

IUPAC3-(difluoromethoxy)-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]benzamide
SMILESCc1nn(C)cc1C(C)NC(=O)c1cccc(OC(F)F)c1
InChIInChI=1S/C15H17F2N3O2/c1-9(13-8-20(3)19-10(13)2)18-14(21)11-5-4-6-12(7-11)22-15(16)17/h4-9,15H,1-3H3,(H,18,21)
InChIKeyYCCJTTTYWPYROY-UHFFFAOYSA-N
MW309.32 g/mol
LogP2.82
Rot. Bonds5

About 3-(difluoromethoxy)-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]benzamide

3-(difluoromethoxy)-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]benzamide (PubChem CID 19466850) has the molecular formula C15H17F2N3O2 and a molecular weight of 309.32 g/mol. Its IUPAC name is 3-(difluoromethoxy)-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-(difluoromethoxy)-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]benzamide
PubChem CID19466850
Molecular FormulaC15H17F2N3O2
Molecular Weight309.32 g/mol
Exact Mass309.13
IUPAC Name3-(difluoromethoxy)-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]benzamide
SMILESCc1nn(C)cc1C(C)NC(=O)c1cccc(OC(F)F)c1
InChIInChI=1S/C15H17F2N3O2/c1-9(13-8-20(3)19-10(13)2)18-14(21)11-5-4-6-12(7-11)22-15(16)17/h4-9,15H,1-3H3,(H,18,21)
InChIKeyYCCJTTTYWPYROY-UHFFFAOYSA-N
XLogP2.82
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]benzamide
CID 19466971
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]benzamide
CID 92614409
3-(difluoromethoxy)-N-propan-2-ylbenzamide
CID 60634617
N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-methoxybenzamide
CID 19462831
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]pyridazine-4-carboxamide
CID 146122778
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,4-dimethylbenzamide
CID 19466965
methyl 3-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]benzoate
CID 65191652
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-methoxy-4-(1-methylpiperidin-4-yl)oxybenzamide
CID 56703138
2-amino-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]benzamide;hydrochloride
CID 119944858
3-(difluoromethoxy)-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]benzamide
CID 2537276
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-(4-methylbenzoyl)benzamide
CID 19466973
N-(1-cyanopropan-2-yl)-3-(difluoromethoxy)benzamide
CID 55032759

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]benzamide?
The IUPAC name of 3-(difluoromethoxy)-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]benzamide (CID 19466850) is 3-(difluoromethoxy)-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]benzamide.
What is the SMILES notation for 3-(difluoromethoxy)-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]benzamide?
The canonical SMILES for 3-(difluoromethoxy)-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]benzamide is Cc1nn(C)cc1C(C)NC(=O)c1cccc(OC(F)F)c1.
What is the InChIKey of 3-(difluoromethoxy)-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]benzamide?
The InChIKey is YCCJTTTYWPYROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3O2/c1-9(13-8-20(3)19-10(13)2)18-14(21)11-5-4-6-12(7-11)22-15(16)17/h4-9,15H,1-3H3,(H,18,21).
What are the key properties of 3-(difluoromethoxy)-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]benzamide?
3-(difluoromethoxy)-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]benzamide has a molecular weight of 309.32 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]benzamide is sourced from PubChem (CID 19466850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).