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

C13H13F2N3O2 — CID 19516761

IUPAC2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-(3-hydroxyphenyl)acetamide
SMILESCc1cc(C(F)F)n(CC(=O)Nc2cccc(O)c2)n1
InChIInChI=1S/C13H13F2N3O2/c1-8-5-11(13(14)15)18(17-8)7-12(20)16-9-3-2-4-10(19)6-9/h2-6,13,19H,7H2,1H3,(H,16,20)
InChIKeyCMGKIHXYNQWVFI-UHFFFAOYSA-N
MW281.26 g/mol
LogP2.47
Rot. Bonds4

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

2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-(3-hydroxyphenyl)acetamide (PubChem CID 19516761) 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-(3-hydroxyphenyl)acetamide.

Molecular Properties

Compound Name2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-(3-hydroxyphenyl)acetamide
PubChem CID19516761
Molecular FormulaC13H13F2N3O2
Molecular Weight281.26 g/mol
Exact Mass281.10
IUPAC Name2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-(3-hydroxyphenyl)acetamide
SMILESCc1cc(C(F)F)n(CC(=O)Nc2cccc(O)c2)n1
InChIInChI=1S/C13H13F2N3O2/c1-8-5-11(13(14)15)18(17-8)7-12(20)16-9-3-2-4-10(19)6-9/h2-6,13,19H,7H2,1H3,(H,16,20)
InChIKeyCMGKIHXYNQWVFI-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

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-(3-hydroxyphenyl)acetamide?
The IUPAC name of 2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-(3-hydroxyphenyl)acetamide (CID 19516761) is 2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-(3-hydroxyphenyl)acetamide.
What is the SMILES notation for 2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-(3-hydroxyphenyl)acetamide?
The canonical SMILES for 2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-(3-hydroxyphenyl)acetamide is Cc1cc(C(F)F)n(CC(=O)Nc2cccc(O)c2)n1.
What is the InChIKey of 2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-(3-hydroxyphenyl)acetamide?
The InChIKey is CMGKIHXYNQWVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3O2/c1-8-5-11(13(14)15)18(17-8)7-12(20)16-9-3-2-4-10(19)6-9/h2-6,13,19H,7H2,1H3,(H,16,20).
What are the key properties of 2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-(3-hydroxyphenyl)acetamide?
2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-(3-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-(3-hydroxyphenyl)acetamide is sourced from PubChem (CID 19516761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).