2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-(3-propan-2-yloxypropyl)acetamide

C13H20F3N3O2 — CID 19522045

IUPAC2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-(3-propan-2-yloxypropyl)acetamide
SMILESCc1cc(C(F)(F)F)n(CC(=O)NCCCOC(C)C)n1
InChIInChI=1S/C13H20F3N3O2/c1-9(2)21-6-4-5-17-12(20)8-19-11(13(14,15)16)7-10(3)18-19/h7,9H,4-6,8H2,1-3H3,(H,17,20)
InChIKeyCSFWFCXTEMZWFY-UHFFFAOYSA-N
MW307.32 g/mol
LogP2.14
Rot. Bonds7

About 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-(3-propan-2-yloxypropyl)acetamide

2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-(3-propan-2-yloxypropyl)acetamide (PubChem CID 19522045) has the molecular formula C13H20F3N3O2 and a molecular weight of 307.32 g/mol. Its IUPAC name is 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-(3-propan-2-yloxypropyl)acetamide.

Molecular Properties

Compound Name2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-(3-propan-2-yloxypropyl)acetamide
PubChem CID19522045
Molecular FormulaC13H20F3N3O2
Molecular Weight307.32 g/mol
Exact Mass307.15
IUPAC Name2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-(3-propan-2-yloxypropyl)acetamide
SMILESCc1cc(C(F)(F)F)n(CC(=O)NCCCOC(C)C)n1
InChIInChI=1S/C13H20F3N3O2/c1-9(2)21-6-4-5-17-12(20)8-19-11(13(14,15)16)7-10(3)18-19/h7,9H,4-6,8H2,1-3H3,(H,17,20)
InChIKeyCSFWFCXTEMZWFY-UHFFFAOYSA-N
XLogP2.14
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 52.14
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-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-(3-propan-2-yloxypropyl)acetamide?
The IUPAC name of 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-(3-propan-2-yloxypropyl)acetamide (CID 19522045) is 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-(3-propan-2-yloxypropyl)acetamide.
What is the SMILES notation for 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-(3-propan-2-yloxypropyl)acetamide?
The canonical SMILES for 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-(3-propan-2-yloxypropyl)acetamide is Cc1cc(C(F)(F)F)n(CC(=O)NCCCOC(C)C)n1.
What is the InChIKey of 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-(3-propan-2-yloxypropyl)acetamide?
The InChIKey is CSFWFCXTEMZWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3O2/c1-9(2)21-6-4-5-17-12(20)8-19-11(13(14,15)16)7-10(3)18-19/h7,9H,4-6,8H2,1-3H3,(H,17,20).
What are the key properties of 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-(3-propan-2-yloxypropyl)acetamide?
2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-(3-propan-2-yloxypropyl)acetamide has a molecular weight of 307.32 g/mol, XLogP of 2.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-(3-propan-2-yloxypropyl)acetamide is sourced from PubChem (CID 19522045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).