N-[2-(difluoromethoxy)-5-methylphenyl]-3-(3-methylpyrazol-1-yl)propanamide

C15H17F2N3O2 — CID 19555878

IUPACN-[2-(difluoromethoxy)-5-methylphenyl]-3-(3-methylpyrazol-1-yl)propanamide
SMILESCc1ccc(OC(F)F)c(NC(=O)CCn2ccc(C)n2)c1
InChIInChI=1S/C15H17F2N3O2/c1-10-3-4-13(22-15(16)17)12(9-10)18-14(21)6-8-20-7-5-11(2)19-20/h3-5,7,9,15H,6,8H2,1-2H3,(H,18,21)
InChIKeyHTWVLGAAUPVDFB-UHFFFAOYSA-N
MW309.32 g/mol
LogP3.13
Rot. Bonds6

About N-[2-(difluoromethoxy)-5-methylphenyl]-3-(3-methylpyrazol-1-yl)propanamide

N-[2-(difluoromethoxy)-5-methylphenyl]-3-(3-methylpyrazol-1-yl)propanamide (PubChem CID 19555878) has the molecular formula C15H17F2N3O2 and a molecular weight of 309.32 g/mol. Its IUPAC name is N-[2-(difluoromethoxy)-5-methylphenyl]-3-(3-methylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[2-(difluoromethoxy)-5-methylphenyl]-3-(3-methylpyrazol-1-yl)propanamide
PubChem CID19555878
Molecular FormulaC15H17F2N3O2
Molecular Weight309.32 g/mol
Exact Mass309.13
IUPAC NameN-[2-(difluoromethoxy)-5-methylphenyl]-3-(3-methylpyrazol-1-yl)propanamide
SMILESCc1ccc(OC(F)F)c(NC(=O)CCn2ccc(C)n2)c1
InChIInChI=1S/C15H17F2N3O2/c1-10-3-4-13(22-15(16)17)12(9-10)18-14(21)6-8-20-7-5-11(2)19-20/h3-5,7,9,15H,6,8H2,1-2H3,(H,18,21)
InChIKeyHTWVLGAAUPVDFB-UHFFFAOYSA-N
XLogP3.13
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 53.13
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]-3-(3-methylpyrazol-1-yl)propanamide?
The IUPAC name of N-[2-(difluoromethoxy)-5-methylphenyl]-3-(3-methylpyrazol-1-yl)propanamide (CID 19555878) is N-[2-(difluoromethoxy)-5-methylphenyl]-3-(3-methylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-[2-(difluoromethoxy)-5-methylphenyl]-3-(3-methylpyrazol-1-yl)propanamide?
The canonical SMILES for N-[2-(difluoromethoxy)-5-methylphenyl]-3-(3-methylpyrazol-1-yl)propanamide is Cc1ccc(OC(F)F)c(NC(=O)CCn2ccc(C)n2)c1.
What is the InChIKey of N-[2-(difluoromethoxy)-5-methylphenyl]-3-(3-methylpyrazol-1-yl)propanamide?
The InChIKey is HTWVLGAAUPVDFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3O2/c1-10-3-4-13(22-15(16)17)12(9-10)18-14(21)6-8-20-7-5-11(2)19-20/h3-5,7,9,15H,6,8H2,1-2H3,(H,18,21).
What are the key properties of N-[2-(difluoromethoxy)-5-methylphenyl]-3-(3-methylpyrazol-1-yl)propanamide?
N-[2-(difluoromethoxy)-5-methylphenyl]-3-(3-methylpyrazol-1-yl)propanamide has a molecular weight of 309.32 g/mol, XLogP of 3.13, 6 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]-3-(3-methylpyrazol-1-yl)propanamide is sourced from PubChem (CID 19555878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).