1-(4-phenoxypyrazol-1-yl)ethanamine

C11H13N3O — CID 117125159

IUPAC1-(4-phenoxypyrazol-1-yl)ethanamine
SMILESCC(N)n1cc(Oc2ccccc2)cn1
InChIInChI=1S/C11H13N3O/c1-9(12)14-8-11(7-13-14)15-10-5-3-2-4-6-10/h2-9H,12H2,1H3
InChIKeyGRTCLWTVSYUHMB-UHFFFAOYSA-N
MW203.25 g/mol
LogP2.15
Rot. Bonds3

About 1-(4-phenoxypyrazol-1-yl)ethanamine

1-(4-phenoxypyrazol-1-yl)ethanamine (PubChem CID 117125159) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 1-(4-phenoxypyrazol-1-yl)ethanamine.

Molecular Properties

Compound Name1-(4-phenoxypyrazol-1-yl)ethanamine
PubChem CID117125159
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name1-(4-phenoxypyrazol-1-yl)ethanamine
SMILESCC(N)n1cc(Oc2ccccc2)cn1
InChIInChI=1S/C11H13N3O/c1-9(12)14-8-11(7-13-14)15-10-5-3-2-4-6-10/h2-9H,12H2,1H3
InChIKeyGRTCLWTVSYUHMB-UHFFFAOYSA-N
XLogP2.15
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2-methylphenoxy)pyrazol-1-yl]ethanamine
CID 117125191
1-[2-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]butan-2-amine
CID 116804290
4-(3-phenoxypropoxy)-1-propan-2-ylpyrazole
CID 116805200
1-(4-methylpyrazol-1-yl)ethanamine
CID 155393136
1-[4-(3-methoxyphenoxy)pyrazol-1-yl]-N-methylethanamine
CID 117125240
N'-hydroxy-4-(1-propan-2-ylpyrazol-4-yl)oxybenzenecarboximidamide
CID 116801466
1-[4-(4-bromophenoxy)pyrazol-1-yl]-N-methylethanamine
CID 117125176
1-[4-(1-methylpyrazol-4-yl)oxyphenyl]ethanamine
CID 116792884
1-[2-fluoro-6-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanamine
CID 116801761
1-[2-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanol
CID 116802017
4-phenylmethoxy-1-propan-2-ylpyrazole
CID 91900757
[2-(1-propan-2-ylpyrazol-4-yl)oxyquinolin-4-yl]methanamine
CID 116800179

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenoxypyrazol-1-yl)ethanamine?
The IUPAC name of 1-(4-phenoxypyrazol-1-yl)ethanamine (CID 117125159) is 1-(4-phenoxypyrazol-1-yl)ethanamine.
What is the SMILES notation for 1-(4-phenoxypyrazol-1-yl)ethanamine?
The canonical SMILES for 1-(4-phenoxypyrazol-1-yl)ethanamine is CC(N)n1cc(Oc2ccccc2)cn1.
What is the InChIKey of 1-(4-phenoxypyrazol-1-yl)ethanamine?
The InChIKey is GRTCLWTVSYUHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-9(12)14-8-11(7-13-14)15-10-5-3-2-4-6-10/h2-9H,12H2,1H3.
What are the key properties of 1-(4-phenoxypyrazol-1-yl)ethanamine?
1-(4-phenoxypyrazol-1-yl)ethanamine has a molecular weight of 203.25 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenoxypyrazol-1-yl)ethanamine is sourced from PubChem (CID 117125159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).