1-(1-methylpyrazol-3-yl)-N-(2,2,2-trifluoroethoxy)methanamine

C7H10F3N3O — CID 82866199

IUPAC1-(1-methylpyrazol-3-yl)-N-(2,2,2-trifluoroethoxy)methanamine
SMILESCn1ccc(CNOCC(F)(F)F)n1
InChIInChI=1S/C7H10F3N3O/c1-13-3-2-6(12-13)4-11-14-5-7(8,9)10/h2-3,11H,4-5H2,1H3
InChIKeyKWCDOJQTHQCOOW-UHFFFAOYSA-N
MW209.17 g/mol
LogP1.00
Rot. Bonds4

About 1-(1-methylpyrazol-3-yl)-N-(2,2,2-trifluoroethoxy)methanamine

1-(1-methylpyrazol-3-yl)-N-(2,2,2-trifluoroethoxy)methanamine (PubChem CID 82866199) has the molecular formula C7H10F3N3O and a molecular weight of 209.17 g/mol. Its IUPAC name is 1-(1-methylpyrazol-3-yl)-N-(2,2,2-trifluoroethoxy)methanamine.

Molecular Properties

Compound Name1-(1-methylpyrazol-3-yl)-N-(2,2,2-trifluoroethoxy)methanamine
PubChem CID82866199
Molecular FormulaC7H10F3N3O
Molecular Weight209.17 g/mol
Exact Mass209.08
IUPAC Name1-(1-methylpyrazol-3-yl)-N-(2,2,2-trifluoroethoxy)methanamine
SMILESCn1ccc(CNOCC(F)(F)F)n1
InChIInChI=1S/C7H10F3N3O/c1-13-3-2-6(12-13)4-11-14-5-7(8,9)10/h2-3,11H,4-5H2,1H3
InChIKeyKWCDOJQTHQCOOW-UHFFFAOYSA-N
XLogP1.00
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.17
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-3-yl)-N-(2,2,2-trifluoroethoxy)methanamine?
The IUPAC name of 1-(1-methylpyrazol-3-yl)-N-(2,2,2-trifluoroethoxy)methanamine (CID 82866199) is 1-(1-methylpyrazol-3-yl)-N-(2,2,2-trifluoroethoxy)methanamine.
What is the SMILES notation for 1-(1-methylpyrazol-3-yl)-N-(2,2,2-trifluoroethoxy)methanamine?
The canonical SMILES for 1-(1-methylpyrazol-3-yl)-N-(2,2,2-trifluoroethoxy)methanamine is Cn1ccc(CNOCC(F)(F)F)n1.
What is the InChIKey of 1-(1-methylpyrazol-3-yl)-N-(2,2,2-trifluoroethoxy)methanamine?
The InChIKey is KWCDOJQTHQCOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3O/c1-13-3-2-6(12-13)4-11-14-5-7(8,9)10/h2-3,11H,4-5H2,1H3.
What are the key properties of 1-(1-methylpyrazol-3-yl)-N-(2,2,2-trifluoroethoxy)methanamine?
1-(1-methylpyrazol-3-yl)-N-(2,2,2-trifluoroethoxy)methanamine has a molecular weight of 209.17 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-3-yl)-N-(2,2,2-trifluoroethoxy)methanamine is sourced from PubChem (CID 82866199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).