2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-(2-methoxyethyl)acetamide

C12H17F2N3O2 — CID 19530340

IUPAC2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)Cn1nc(C2CC2)cc1C(F)F
InChIInChI=1S/C12H17F2N3O2/c1-19-5-4-15-11(18)7-17-10(12(13)14)6-9(16-17)8-2-3-8/h6,8,12H,2-5,7H2,1H3,(H,15,18)
InChIKeyUPEQVZYXRTUBBN-UHFFFAOYSA-N
MW273.28 g/mol
LogP1.46
Rot. Bonds7

About 2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-(2-methoxyethyl)acetamide

2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-(2-methoxyethyl)acetamide (PubChem CID 19530340) has the molecular formula C12H17F2N3O2 and a molecular weight of 273.28 g/mol. Its IUPAC name is 2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-(2-methoxyethyl)acetamide
PubChem CID19530340
Molecular FormulaC12H17F2N3O2
Molecular Weight273.28 g/mol
Exact Mass273.13
IUPAC Name2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)Cn1nc(C2CC2)cc1C(F)F
InChIInChI=1S/C12H17F2N3O2/c1-19-5-4-15-11(18)7-17-10(12(13)14)6-9(16-17)8-2-3-8/h6,8,12H,2-5,7H2,1H3,(H,15,18)
InChIKeyUPEQVZYXRTUBBN-UHFFFAOYSA-N
XLogP1.46
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-(2-methoxyethyl)acetamide (CID 19530340) is 2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-(2-methoxyethyl)acetamide is COCCNC(=O)Cn1nc(C2CC2)cc1C(F)F.
What is the InChIKey of 2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-(2-methoxyethyl)acetamide?
The InChIKey is UPEQVZYXRTUBBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N3O2/c1-19-5-4-15-11(18)7-17-10(12(13)14)6-9(16-17)8-2-3-8/h6,8,12H,2-5,7H2,1H3,(H,15,18).
What are the key properties of 2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-(2-methoxyethyl)acetamide?
2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-(2-methoxyethyl)acetamide has a molecular weight of 273.28 g/mol, XLogP of 1.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 19530340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).