1-[4-(1-methylpyrazol-4-yl)oxyphenyl]ethanamine

C12H15N3O — CID 116792884

IUPAC1-[4-(1-methylpyrazol-4-yl)oxyphenyl]ethanamine
SMILESCC(N)c1ccc(Oc2cnn(C)c2)cc1
InChIInChI=1S/C12H15N3O/c1-9(13)10-3-5-11(6-4-10)16-12-7-14-15(2)8-12/h3-9H,13H2,1-2H3
InChIKeyGZHNPOHUGWNHTP-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.23
Rot. Bonds3

About 1-[4-(1-methylpyrazol-4-yl)oxyphenyl]ethanamine

1-[4-(1-methylpyrazol-4-yl)oxyphenyl]ethanamine (PubChem CID 116792884) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 1-[4-(1-methylpyrazol-4-yl)oxyphenyl]ethanamine.

Molecular Properties

Compound Name1-[4-(1-methylpyrazol-4-yl)oxyphenyl]ethanamine
PubChem CID116792884
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name1-[4-(1-methylpyrazol-4-yl)oxyphenyl]ethanamine
SMILESCC(N)c1ccc(Oc2cnn(C)c2)cc1
InChIInChI=1S/C12H15N3O/c1-9(13)10-3-5-11(6-4-10)16-12-7-14-15(2)8-12/h3-9H,13H2,1-2H3
InChIKeyGZHNPOHUGWNHTP-UHFFFAOYSA-N
XLogP2.23
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(1-methylpyrazol-4-yl)oxyphenyl]methyl]propan-2-amine
CID 116793098
1-[4-(4-propan-2-ylphenoxy)phenyl]ethanamine
CID 43109127
4-(1-methylpyrazol-4-yl)oxybenzene-1,2-diamine
CID 106748568
4-(1-methylpyrazol-4-yl)oxybenzonitrile
CID 83619748
ethane;2-(1-methylpyrazol-4-yl)oxy-5-propan-2-ylpyridine
CID 176693071
(1S)-1-[4-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanamine
CID 63369986
1-[3-chloro-4-(1-methylpyrazol-4-yl)oxyphenyl]ethanol
CID 116793012
(1R)-1-[3-chloro-4-(1-methylpyrazol-4-yl)oxyphenyl]ethanol
CID 104893471
(1R)-1-[4-(3,5-dimethoxyphenoxy)phenyl]ethanamine
CID 78938156
6-(1-methylpyrazol-4-yl)oxypyridin-2-amine
CID 116794360
1-[4-(1-methylpyrazol-4-yl)oxyphenyl]cyclopropane-1-carboxylic acid
CID 172554828
(4-ethoxyphenyl)-(1-methylpyrazol-4-yl)methanamine
CID 43124250

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-methylpyrazol-4-yl)oxyphenyl]ethanamine?
The IUPAC name of 1-[4-(1-methylpyrazol-4-yl)oxyphenyl]ethanamine (CID 116792884) is 1-[4-(1-methylpyrazol-4-yl)oxyphenyl]ethanamine.
What is the SMILES notation for 1-[4-(1-methylpyrazol-4-yl)oxyphenyl]ethanamine?
The canonical SMILES for 1-[4-(1-methylpyrazol-4-yl)oxyphenyl]ethanamine is CC(N)c1ccc(Oc2cnn(C)c2)cc1.
What is the InChIKey of 1-[4-(1-methylpyrazol-4-yl)oxyphenyl]ethanamine?
The InChIKey is GZHNPOHUGWNHTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-9(13)10-3-5-11(6-4-10)16-12-7-14-15(2)8-12/h3-9H,13H2,1-2H3.
What are the key properties of 1-[4-(1-methylpyrazol-4-yl)oxyphenyl]ethanamine?
1-[4-(1-methylpyrazol-4-yl)oxyphenyl]ethanamine has a molecular weight of 217.27 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-methylpyrazol-4-yl)oxyphenyl]ethanamine is sourced from PubChem (CID 116792884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).