2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-(2-hydroxyphenyl)acetamide

C13H13F2N3O2 — CID 19516460

IUPAC2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-(2-hydroxyphenyl)acetamide
SMILESCc1cc(C(F)F)n(CC(=O)Nc2ccccc2O)n1
InChIInChI=1S/C13H13F2N3O2/c1-8-6-10(13(14)15)18(17-8)7-12(20)16-9-4-2-3-5-11(9)19/h2-6,13,19H,7H2,1H3,(H,16,20)
InChIKeyPMRDXWLHELBZDM-UHFFFAOYSA-N
MW281.26 g/mol
LogP2.47
Rot. Bonds4

About 2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-(2-hydroxyphenyl)acetamide

2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-(2-hydroxyphenyl)acetamide (PubChem CID 19516460) has the molecular formula C13H13F2N3O2 and a molecular weight of 281.26 g/mol. Its IUPAC name is 2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-(2-hydroxyphenyl)acetamide.

Molecular Properties

Compound Name2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-(2-hydroxyphenyl)acetamide
PubChem CID19516460
Molecular FormulaC13H13F2N3O2
Molecular Weight281.26 g/mol
Exact Mass281.10
IUPAC Name2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-(2-hydroxyphenyl)acetamide
SMILESCc1cc(C(F)F)n(CC(=O)Nc2ccccc2O)n1
InChIInChI=1S/C13H13F2N3O2/c1-8-6-10(13(14)15)18(17-8)7-12(20)16-9-4-2-3-5-11(9)19/h2-6,13,19H,7H2,1H3,(H,16,20)
InChIKeyPMRDXWLHELBZDM-UHFFFAOYSA-N
XLogP2.47
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.26
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-(2-hydroxyphenyl)acetamide?
The IUPAC name of 2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-(2-hydroxyphenyl)acetamide (CID 19516460) is 2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-(2-hydroxyphenyl)acetamide.
What is the SMILES notation for 2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-(2-hydroxyphenyl)acetamide?
The canonical SMILES for 2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-(2-hydroxyphenyl)acetamide is Cc1cc(C(F)F)n(CC(=O)Nc2ccccc2O)n1.
What is the InChIKey of 2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-(2-hydroxyphenyl)acetamide?
The InChIKey is PMRDXWLHELBZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3O2/c1-8-6-10(13(14)15)18(17-8)7-12(20)16-9-4-2-3-5-11(9)19/h2-6,13,19H,7H2,1H3,(H,16,20).
What are the key properties of 2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-(2-hydroxyphenyl)acetamide?
2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-(2-hydroxyphenyl)acetamide has a molecular weight of 281.26 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-(2-hydroxyphenyl)acetamide is sourced from PubChem (CID 19516460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).