N-[2-(2-fluoroethoxy)ethyl]-N,1-dimethylpyrazole-4-carboxamide

C10H16FN3O2 — CID 58446876

IUPACN-[2-(2-fluoroethoxy)ethyl]-N,1-dimethylpyrazole-4-carboxamide
SMILESCN(CCOCCF)C(=O)c1cnn(C)c1
InChIInChI=1S/C10H16FN3O2/c1-13(4-6-16-5-3-11)10(15)9-7-12-14(2)8-9/h7-8H,3-6H2,1-2H3
InChIKeyVLMBCBNGAOXVFK-UHFFFAOYSA-N
MW229.25 g/mol
LogP0.48
Rot. Bonds6

About N-[2-(2-fluoroethoxy)ethyl]-N,1-dimethylpyrazole-4-carboxamide

N-[2-(2-fluoroethoxy)ethyl]-N,1-dimethylpyrazole-4-carboxamide (PubChem CID 58446876) has the molecular formula C10H16FN3O2 and a molecular weight of 229.25 g/mol. Its IUPAC name is N-[2-(2-fluoroethoxy)ethyl]-N,1-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluoroethoxy)ethyl]-N,1-dimethylpyrazole-4-carboxamide
PubChem CID58446876
Molecular FormulaC10H16FN3O2
Molecular Weight229.25 g/mol
Exact Mass229.12
IUPAC NameN-[2-(2-fluoroethoxy)ethyl]-N,1-dimethylpyrazole-4-carboxamide
SMILESCN(CCOCCF)C(=O)c1cnn(C)c1
InChIInChI=1S/C10H16FN3O2/c1-13(4-6-16-5-3-11)10(15)9-7-12-14(2)8-9/h7-8H,3-6H2,1-2H3
InChIKeyVLMBCBNGAOXVFK-UHFFFAOYSA-N
XLogP0.48
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.25
LogP ≤ 50.48
H-Bond Donors ≤ 50
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 N-[2-(2-fluoroethoxy)ethyl]-N,1-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-[2-(2-fluoroethoxy)ethyl]-N,1-dimethylpyrazole-4-carboxamide (CID 58446876) is N-[2-(2-fluoroethoxy)ethyl]-N,1-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(2-fluoroethoxy)ethyl]-N,1-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-(2-fluoroethoxy)ethyl]-N,1-dimethylpyrazole-4-carboxamide is CN(CCOCCF)C(=O)c1cnn(C)c1.
What is the InChIKey of N-[2-(2-fluoroethoxy)ethyl]-N,1-dimethylpyrazole-4-carboxamide?
The InChIKey is VLMBCBNGAOXVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN3O2/c1-13(4-6-16-5-3-11)10(15)9-7-12-14(2)8-9/h7-8H,3-6H2,1-2H3.
What are the key properties of N-[2-(2-fluoroethoxy)ethyl]-N,1-dimethylpyrazole-4-carboxamide?
N-[2-(2-fluoroethoxy)ethyl]-N,1-dimethylpyrazole-4-carboxamide has a molecular weight of 229.25 g/mol, XLogP of 0.48, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluoroethoxy)ethyl]-N,1-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 58446876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).