2-[2-(difluoromethoxy)phenyl]-N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]acetamide

C17H21F2N3O2 — CID 56792479

IUPAC2-[2-(difluoromethoxy)phenyl]-N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]acetamide
SMILESCc1cc(C)n(CC(C)NC(=O)Cc2ccccc2OC(F)F)n1
InChIInChI=1S/C17H21F2N3O2/c1-11-8-13(3)22(21-11)10-12(2)20-16(23)9-14-6-4-5-7-15(14)24-17(18)19/h4-8,12,17H,9-10H2,1-3H3,(H,20,23)
InChIKeyMFQLJQWAPQOAJA-UHFFFAOYSA-N
MW337.37 g/mol
LogP2.85
Rot. Bonds7

About 2-[2-(difluoromethoxy)phenyl]-N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]acetamide

2-[2-(difluoromethoxy)phenyl]-N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]acetamide (PubChem CID 56792479) has the molecular formula C17H21F2N3O2 and a molecular weight of 337.37 g/mol. Its IUPAC name is 2-[2-(difluoromethoxy)phenyl]-N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]acetamide.

Molecular Properties

Compound Name2-[2-(difluoromethoxy)phenyl]-N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]acetamide
PubChem CID56792479
Molecular FormulaC17H21F2N3O2
Molecular Weight337.37 g/mol
Exact Mass337.16
IUPAC Name2-[2-(difluoromethoxy)phenyl]-N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]acetamide
SMILESCc1cc(C)n(CC(C)NC(=O)Cc2ccccc2OC(F)F)n1
InChIInChI=1S/C17H21F2N3O2/c1-11-8-13(3)22(21-11)10-12(2)20-16(23)9-14-6-4-5-7-15(14)24-17(18)19/h4-8,12,17H,9-10H2,1-3H3,(H,20,23)
InChIKeyMFQLJQWAPQOAJA-UHFFFAOYSA-N
XLogP2.85
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.37
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(difluoromethoxy)phenyl]-N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]acetamide?
The IUPAC name of 2-[2-(difluoromethoxy)phenyl]-N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]acetamide (CID 56792479) is 2-[2-(difluoromethoxy)phenyl]-N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]acetamide.
What is the SMILES notation for 2-[2-(difluoromethoxy)phenyl]-N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]acetamide?
The canonical SMILES for 2-[2-(difluoromethoxy)phenyl]-N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]acetamide is Cc1cc(C)n(CC(C)NC(=O)Cc2ccccc2OC(F)F)n1.
What is the InChIKey of 2-[2-(difluoromethoxy)phenyl]-N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]acetamide?
The InChIKey is MFQLJQWAPQOAJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F2N3O2/c1-11-8-13(3)22(21-11)10-12(2)20-16(23)9-14-6-4-5-7-15(14)24-17(18)19/h4-8,12,17H,9-10H2,1-3H3,(H,20,23).
What are the key properties of 2-[2-(difluoromethoxy)phenyl]-N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]acetamide?
2-[2-(difluoromethoxy)phenyl]-N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]acetamide has a molecular weight of 337.37 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(difluoromethoxy)phenyl]-N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]acetamide is sourced from PubChem (CID 56792479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).