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

C12H13F2N3O2 — CID 844768

IUPAC2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(furan-2-ylmethyl)acetamide
SMILESCc1cc(C(F)F)nn1CC(=O)NCc1ccco1
InChIInChI=1S/C12H13F2N3O2/c1-8-5-10(12(13)14)16-17(8)7-11(18)15-6-9-3-2-4-19-9/h2-5,12H,6-7H2,1H3,(H,15,18)
InChIKeySUFXJBNUNOXVJT-UHFFFAOYSA-N
MW269.25 g/mol
LogP2.04
Rot. Bonds5

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

2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(furan-2-ylmethyl)acetamide (PubChem CID 844768) has the molecular formula C12H13F2N3O2 and a molecular weight of 269.25 g/mol. Its IUPAC name is 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(furan-2-ylmethyl)acetamide
PubChem CID844768
Molecular FormulaC12H13F2N3O2
Molecular Weight269.25 g/mol
Exact Mass269.10
IUPAC Name2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(furan-2-ylmethyl)acetamide
SMILESCc1cc(C(F)F)nn1CC(=O)NCc1ccco1
InChIInChI=1S/C12H13F2N3O2/c1-8-5-10(12(13)14)16-17(8)7-11(18)15-6-9-3-2-4-19-9/h2-5,12H,6-7H2,1H3,(H,15,18)
InChIKeySUFXJBNUNOXVJT-UHFFFAOYSA-N
XLogP2.04
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.25
LogP ≤ 52.04
H-Bond Donors ≤ 51
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-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(furan-2-ylmethyl)acetamide (CID 844768) is 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(furan-2-ylmethyl)acetamide is Cc1cc(C(F)F)nn1CC(=O)NCc1ccco1.
What is the InChIKey of 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is SUFXJBNUNOXVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N3O2/c1-8-5-10(12(13)14)16-17(8)7-11(18)15-6-9-3-2-4-19-9/h2-5,12H,6-7H2,1H3,(H,15,18).
What are the key properties of 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(furan-2-ylmethyl)acetamide?
2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 269.25 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 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-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 844768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).