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

C13H13F2N3O2 — CID 19519624

IUPAC2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(3-hydroxyphenyl)acetamide
SMILESCc1cc(C(F)F)nn1CC(=O)Nc1cccc(O)c1
InChIInChI=1S/C13H13F2N3O2/c1-8-5-11(13(14)15)17-18(8)7-12(20)16-9-3-2-4-10(19)6-9/h2-6,13,19H,7H2,1H3,(H,16,20)
InChIKeyYZKGUNLBDVNFBB-UHFFFAOYSA-N
MW281.26 g/mol
LogP2.47
Rot. Bonds4

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

2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(3-hydroxyphenyl)acetamide (PubChem CID 19519624) has the molecular formula C13H13F2N3O2 and a molecular weight of 281.26 g/mol. Its IUPAC name is 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(3-hydroxyphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(3-hydroxyphenyl)acetamide
PubChem CID19519624
Molecular FormulaC13H13F2N3O2
Molecular Weight281.26 g/mol
Exact Mass281.10
IUPAC Name2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(3-hydroxyphenyl)acetamide
SMILESCc1cc(C(F)F)nn1CC(=O)Nc1cccc(O)c1
InChIInChI=1S/C13H13F2N3O2/c1-8-5-11(13(14)15)17-18(8)7-12(20)16-9-3-2-4-10(19)6-9/h2-6,13,19H,7H2,1H3,(H,16,20)
InChIKeyYZKGUNLBDVNFBB-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-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(3-hydroxyphenyl)acetamide?
The IUPAC name of 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(3-hydroxyphenyl)acetamide (CID 19519624) is 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(3-hydroxyphenyl)acetamide.
What is the SMILES notation for 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(3-hydroxyphenyl)acetamide?
The canonical SMILES for 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(3-hydroxyphenyl)acetamide is Cc1cc(C(F)F)nn1CC(=O)Nc1cccc(O)c1.
What is the InChIKey of 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(3-hydroxyphenyl)acetamide?
The InChIKey is YZKGUNLBDVNFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3O2/c1-8-5-11(13(14)15)17-18(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-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(3-hydroxyphenyl)acetamide?
2-[3-(difluoromethyl)-5-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-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(3-hydroxyphenyl)acetamide is sourced from PubChem (CID 19519624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).