N-[3,5-difluoro-4-[(2-methylpropan-2-yl)oxy]phenyl]-2-(1H-pyrazol-5-yl)acetamide

C15H17F2N3O2 — CID 75519842

IUPACN-[3,5-difluoro-4-[(2-methylpropan-2-yl)oxy]phenyl]-2-(1H-pyrazol-5-yl)acetamide
SMILESCC(C)(C)Oc1c(F)cc(NC(=O)Cc2ccn[nH]2)cc1F
InChIInChI=1S/C15H17F2N3O2/c1-15(2,3)22-14-11(16)6-10(7-12(14)17)19-13(21)8-9-4-5-18-20-9/h4-7H,8H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyJRFYCEGJIJQOSG-UHFFFAOYSA-N
MW309.32 g/mol
LogP3.05
Rot. Bonds4

About N-[3,5-difluoro-4-[(2-methylpropan-2-yl)oxy]phenyl]-2-(1H-pyrazol-5-yl)acetamide

N-[3,5-difluoro-4-[(2-methylpropan-2-yl)oxy]phenyl]-2-(1H-pyrazol-5-yl)acetamide (PubChem CID 75519842) has the molecular formula C15H17F2N3O2 and a molecular weight of 309.32 g/mol. Its IUPAC name is N-[3,5-difluoro-4-[(2-methylpropan-2-yl)oxy]phenyl]-2-(1H-pyrazol-5-yl)acetamide.

Molecular Properties

Compound NameN-[3,5-difluoro-4-[(2-methylpropan-2-yl)oxy]phenyl]-2-(1H-pyrazol-5-yl)acetamide
PubChem CID75519842
Molecular FormulaC15H17F2N3O2
Molecular Weight309.32 g/mol
Exact Mass309.13
IUPAC NameN-[3,5-difluoro-4-[(2-methylpropan-2-yl)oxy]phenyl]-2-(1H-pyrazol-5-yl)acetamide
SMILESCC(C)(C)Oc1c(F)cc(NC(=O)Cc2ccn[nH]2)cc1F
InChIInChI=1S/C15H17F2N3O2/c1-15(2,3)22-14-11(16)6-10(7-12(14)17)19-13(21)8-9-4-5-18-20-9/h4-7H,8H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyJRFYCEGJIJQOSG-UHFFFAOYSA-N
XLogP3.05
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3,5-difluoro-4-[(2-methylpropan-2-yl)oxy]phenyl]-2-(1H-pyrazol-5-yl)acetamide?
The IUPAC name of N-[3,5-difluoro-4-[(2-methylpropan-2-yl)oxy]phenyl]-2-(1H-pyrazol-5-yl)acetamide (CID 75519842) is N-[3,5-difluoro-4-[(2-methylpropan-2-yl)oxy]phenyl]-2-(1H-pyrazol-5-yl)acetamide.
What is the SMILES notation for N-[3,5-difluoro-4-[(2-methylpropan-2-yl)oxy]phenyl]-2-(1H-pyrazol-5-yl)acetamide?
The canonical SMILES for N-[3,5-difluoro-4-[(2-methylpropan-2-yl)oxy]phenyl]-2-(1H-pyrazol-5-yl)acetamide is CC(C)(C)Oc1c(F)cc(NC(=O)Cc2ccn[nH]2)cc1F.
What is the InChIKey of N-[3,5-difluoro-4-[(2-methylpropan-2-yl)oxy]phenyl]-2-(1H-pyrazol-5-yl)acetamide?
The InChIKey is JRFYCEGJIJQOSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3O2/c1-15(2,3)22-14-11(16)6-10(7-12(14)17)19-13(21)8-9-4-5-18-20-9/h4-7H,8H2,1-3H3,(H,18,20)(H,19,21).
What are the key properties of N-[3,5-difluoro-4-[(2-methylpropan-2-yl)oxy]phenyl]-2-(1H-pyrazol-5-yl)acetamide?
N-[3,5-difluoro-4-[(2-methylpropan-2-yl)oxy]phenyl]-2-(1H-pyrazol-5-yl)acetamide has a molecular weight of 309.32 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-difluoro-4-[(2-methylpropan-2-yl)oxy]phenyl]-2-(1H-pyrazol-5-yl)acetamide is sourced from PubChem (CID 75519842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).