N-[2-(difluoromethoxy)-5-methylphenyl]-2-(4-methylpyrazol-1-yl)acetamide

C14H15F2N3O2 — CID 19526553

IUPACN-[2-(difluoromethoxy)-5-methylphenyl]-2-(4-methylpyrazol-1-yl)acetamide
SMILESCc1ccc(OC(F)F)c(NC(=O)Cn2cc(C)cn2)c1
InChIInChI=1S/C14H15F2N3O2/c1-9-3-4-12(21-14(15)16)11(5-9)18-13(20)8-19-7-10(2)6-17-19/h3-7,14H,8H2,1-2H3,(H,18,20)
InChIKeyCMFJJDDBRUMEOD-UHFFFAOYSA-N
MW295.29 g/mol
LogP2.74
Rot. Bonds5

About N-[2-(difluoromethoxy)-5-methylphenyl]-2-(4-methylpyrazol-1-yl)acetamide

N-[2-(difluoromethoxy)-5-methylphenyl]-2-(4-methylpyrazol-1-yl)acetamide (PubChem CID 19526553) has the molecular formula C14H15F2N3O2 and a molecular weight of 295.29 g/mol. Its IUPAC name is N-[2-(difluoromethoxy)-5-methylphenyl]-2-(4-methylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(difluoromethoxy)-5-methylphenyl]-2-(4-methylpyrazol-1-yl)acetamide
PubChem CID19526553
Molecular FormulaC14H15F2N3O2
Molecular Weight295.29 g/mol
Exact Mass295.11
IUPAC NameN-[2-(difluoromethoxy)-5-methylphenyl]-2-(4-methylpyrazol-1-yl)acetamide
SMILESCc1ccc(OC(F)F)c(NC(=O)Cn2cc(C)cn2)c1
InChIInChI=1S/C14H15F2N3O2/c1-9-3-4-12(21-14(15)16)11(5-9)18-13(20)8-19-7-10(2)6-17-19/h3-7,14H,8H2,1-2H3,(H,18,20)
InChIKeyCMFJJDDBRUMEOD-UHFFFAOYSA-N
XLogP2.74
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethoxy)-5-methylphenyl]-2-(4-methylpyrazol-1-yl)acetamide?
The IUPAC name of N-[2-(difluoromethoxy)-5-methylphenyl]-2-(4-methylpyrazol-1-yl)acetamide (CID 19526553) is N-[2-(difluoromethoxy)-5-methylphenyl]-2-(4-methylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-[2-(difluoromethoxy)-5-methylphenyl]-2-(4-methylpyrazol-1-yl)acetamide?
The canonical SMILES for N-[2-(difluoromethoxy)-5-methylphenyl]-2-(4-methylpyrazol-1-yl)acetamide is Cc1ccc(OC(F)F)c(NC(=O)Cn2cc(C)cn2)c1.
What is the InChIKey of N-[2-(difluoromethoxy)-5-methylphenyl]-2-(4-methylpyrazol-1-yl)acetamide?
The InChIKey is CMFJJDDBRUMEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3O2/c1-9-3-4-12(21-14(15)16)11(5-9)18-13(20)8-19-7-10(2)6-17-19/h3-7,14H,8H2,1-2H3,(H,18,20).
What are the key properties of N-[2-(difluoromethoxy)-5-methylphenyl]-2-(4-methylpyrazol-1-yl)acetamide?
N-[2-(difluoromethoxy)-5-methylphenyl]-2-(4-methylpyrazol-1-yl)acetamide has a molecular weight of 295.29 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethoxy)-5-methylphenyl]-2-(4-methylpyrazol-1-yl)acetamide is sourced from PubChem (CID 19526553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).