[4-(2-pyrazol-1-ylethoxy)-3-(trifluoromethyl)phenyl]methanamine

C13H14F3N3O — CID 63319569

IUPAC[4-(2-pyrazol-1-ylethoxy)-3-(trifluoromethyl)phenyl]methanamine
SMILESNCc1ccc(OCCn2cccn2)c(C(F)(F)F)c1
InChIInChI=1S/C13H14F3N3O/c14-13(15,16)11-8-10(9-17)2-3-12(11)20-7-6-19-5-1-4-18-19/h1-5,8H,6-7,9,17H2
InChIKeyOYLAYJQRVHBGNM-UHFFFAOYSA-N
MW285.27 g/mol
LogP2.44
Rot. Bonds5

About [4-(2-pyrazol-1-ylethoxy)-3-(trifluoromethyl)phenyl]methanamine

[4-(2-pyrazol-1-ylethoxy)-3-(trifluoromethyl)phenyl]methanamine (PubChem CID 63319569) has the molecular formula C13H14F3N3O and a molecular weight of 285.27 g/mol. Its IUPAC name is [4-(2-pyrazol-1-ylethoxy)-3-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name[4-(2-pyrazol-1-ylethoxy)-3-(trifluoromethyl)phenyl]methanamine
PubChem CID63319569
Molecular FormulaC13H14F3N3O
Molecular Weight285.27 g/mol
Exact Mass285.11
IUPAC Name[4-(2-pyrazol-1-ylethoxy)-3-(trifluoromethyl)phenyl]methanamine
SMILESNCc1ccc(OCCn2cccn2)c(C(F)(F)F)c1
InChIInChI=1S/C13H14F3N3O/c14-13(15,16)11-8-10(9-17)2-3-12(11)20-7-6-19-5-1-4-18-19/h1-5,8H,6-7,9,17H2
InChIKeyOYLAYJQRVHBGNM-UHFFFAOYSA-N
XLogP2.44
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(2-pyrazol-1-ylethoxy)-3-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of [4-(2-pyrazol-1-ylethoxy)-3-(trifluoromethyl)phenyl]methanamine (CID 63319569) is [4-(2-pyrazol-1-ylethoxy)-3-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for [4-(2-pyrazol-1-ylethoxy)-3-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for [4-(2-pyrazol-1-ylethoxy)-3-(trifluoromethyl)phenyl]methanamine is NCc1ccc(OCCn2cccn2)c(C(F)(F)F)c1.
What is the InChIKey of [4-(2-pyrazol-1-ylethoxy)-3-(trifluoromethyl)phenyl]methanamine?
The InChIKey is OYLAYJQRVHBGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3O/c14-13(15,16)11-8-10(9-17)2-3-12(11)20-7-6-19-5-1-4-18-19/h1-5,8H,6-7,9,17H2.
What are the key properties of [4-(2-pyrazol-1-ylethoxy)-3-(trifluoromethyl)phenyl]methanamine?
[4-(2-pyrazol-1-ylethoxy)-3-(trifluoromethyl)phenyl]methanamine has a molecular weight of 285.27 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-pyrazol-1-ylethoxy)-3-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 63319569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).