N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide

C11H15F4N3O2 — CID 91771454

IUPACN-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide
SMILESCc1[nH]ncc1CN(C)C(=O)COCC(F)(F)C(F)F
InChIInChI=1S/C11H15F4N3O2/c1-7-8(3-16-17-7)4-18(2)9(19)5-20-6-11(14,15)10(12)13/h3,10H,4-6H2,1-2H3,(H,16,17)
InChIKeyMNFUQUZBJORYJU-UHFFFAOYSA-N
MW297.25 g/mol
LogP1.59
Rot. Bonds7

About N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide

N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide (PubChem CID 91771454) has the molecular formula C11H15F4N3O2 and a molecular weight of 297.25 g/mol. Its IUPAC name is N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide.

Molecular Properties

Compound NameN-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide
PubChem CID91771454
Molecular FormulaC11H15F4N3O2
Molecular Weight297.25 g/mol
Exact Mass297.11
IUPAC NameN-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide
SMILESCc1[nH]ncc1CN(C)C(=O)COCC(F)(F)C(F)F
InChIInChI=1S/C11H15F4N3O2/c1-7-8(3-16-17-7)4-18(2)9(19)5-20-6-11(14,15)10(12)13/h3,10H,4-6H2,1-2H3,(H,16,17)
InChIKeyMNFUQUZBJORYJU-UHFFFAOYSA-N
XLogP1.59
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.25
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide?
The IUPAC name of N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide (CID 91771454) is N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide.
What is the SMILES notation for N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide?
The canonical SMILES for N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide is Cc1[nH]ncc1CN(C)C(=O)COCC(F)(F)C(F)F.
What is the InChIKey of N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide?
The InChIKey is MNFUQUZBJORYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F4N3O2/c1-7-8(3-16-17-7)4-18(2)9(19)5-20-6-11(14,15)10(12)13/h3,10H,4-6H2,1-2H3,(H,16,17).
What are the key properties of N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide?
N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide has a molecular weight of 297.25 g/mol, XLogP of 1.59, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide is sourced from PubChem (CID 91771454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).