[4-[(1-ethylpyrazol-4-yl)methoxy]-3-(trifluoromethyl)phenyl]methanamine

C14H16F3N3O — CID 63319571

IUPAC[4-[(1-ethylpyrazol-4-yl)methoxy]-3-(trifluoromethyl)phenyl]methanamine
SMILESCCn1cc(COc2ccc(CN)cc2C(F)(F)F)cn1
InChIInChI=1S/C14H16F3N3O/c1-2-20-8-11(7-19-20)9-21-13-4-3-10(6-18)5-12(13)14(15,16)17/h3-5,7-8H,2,6,9,18H2,1H3
InChIKeyFJGJSZSYUSXIBD-UHFFFAOYSA-N
MW299.30 g/mol
LogP2.96
Rot. Bonds5

About [4-[(1-ethylpyrazol-4-yl)methoxy]-3-(trifluoromethyl)phenyl]methanamine

[4-[(1-ethylpyrazol-4-yl)methoxy]-3-(trifluoromethyl)phenyl]methanamine (PubChem CID 63319571) has the molecular formula C14H16F3N3O and a molecular weight of 299.30 g/mol. Its IUPAC name is [4-[(1-ethylpyrazol-4-yl)methoxy]-3-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name[4-[(1-ethylpyrazol-4-yl)methoxy]-3-(trifluoromethyl)phenyl]methanamine
PubChem CID63319571
Molecular FormulaC14H16F3N3O
Molecular Weight299.30 g/mol
Exact Mass299.12
IUPAC Name[4-[(1-ethylpyrazol-4-yl)methoxy]-3-(trifluoromethyl)phenyl]methanamine
SMILESCCn1cc(COc2ccc(CN)cc2C(F)(F)F)cn1
InChIInChI=1S/C14H16F3N3O/c1-2-20-8-11(7-19-20)9-21-13-4-3-10(6-18)5-12(13)14(15,16)17/h3-5,7-8H,2,6,9,18H2,1H3
InChIKeyFJGJSZSYUSXIBD-UHFFFAOYSA-N
XLogP2.96
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[(1-ethylpyrazol-4-yl)methoxy]-3-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of [4-[(1-ethylpyrazol-4-yl)methoxy]-3-(trifluoromethyl)phenyl]methanamine (CID 63319571) is [4-[(1-ethylpyrazol-4-yl)methoxy]-3-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for [4-[(1-ethylpyrazol-4-yl)methoxy]-3-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for [4-[(1-ethylpyrazol-4-yl)methoxy]-3-(trifluoromethyl)phenyl]methanamine is CCn1cc(COc2ccc(CN)cc2C(F)(F)F)cn1.
What is the InChIKey of [4-[(1-ethylpyrazol-4-yl)methoxy]-3-(trifluoromethyl)phenyl]methanamine?
The InChIKey is FJGJSZSYUSXIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O/c1-2-20-8-11(7-19-20)9-21-13-4-3-10(6-18)5-12(13)14(15,16)17/h3-5,7-8H,2,6,9,18H2,1H3.
What are the key properties of [4-[(1-ethylpyrazol-4-yl)methoxy]-3-(trifluoromethyl)phenyl]methanamine?
[4-[(1-ethylpyrazol-4-yl)methoxy]-3-(trifluoromethyl)phenyl]methanamine has a molecular weight of 299.30 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1-ethylpyrazol-4-yl)methoxy]-3-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 63319571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).