1-[4-(2-methylphenoxy)pyrazol-1-yl]ethanamine

C12H15N3O — CID 117125191

IUPAC1-[4-(2-methylphenoxy)pyrazol-1-yl]ethanamine
SMILESCc1ccccc1Oc1cnn(C(C)N)c1
InChIInChI=1S/C12H15N3O/c1-9-5-3-4-6-12(9)16-11-7-14-15(8-11)10(2)13/h3-8,10H,13H2,1-2H3
InChIKeyGJZGAWSBDUYKDF-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.46
Rot. Bonds3

About 1-[4-(2-methylphenoxy)pyrazol-1-yl]ethanamine

1-[4-(2-methylphenoxy)pyrazol-1-yl]ethanamine (PubChem CID 117125191) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 1-[4-(2-methylphenoxy)pyrazol-1-yl]ethanamine.

Molecular Properties

Compound Name1-[4-(2-methylphenoxy)pyrazol-1-yl]ethanamine
PubChem CID117125191
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name1-[4-(2-methylphenoxy)pyrazol-1-yl]ethanamine
SMILESCc1ccccc1Oc1cnn(C(C)N)c1
InChIInChI=1S/C12H15N3O/c1-9-5-3-4-6-12(9)16-11-7-14-15(8-11)10(2)13/h3-8,10H,13H2,1-2H3
InChIKeyGJZGAWSBDUYKDF-UHFFFAOYSA-N
XLogP2.46
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 ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-phenoxypyrazol-1-yl)ethanamine
CID 117125159
1-[2-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]butan-2-amine
CID 116804290
1-[2-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanol
CID 116802017
1-[2-fluoro-6-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanamine
CID 116801761
2-[4-(2-methylphenoxy)pyrazol-1-yl]acetic acid
CID 115038747
1-(4-methylpyrazol-1-yl)ethanamine
CID 155393136
1-[4-(2-methylphenoxy)phenyl]propan-2-amine
CID 63803790
2-[2-chloro-6-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanamine
CID 116804277
2-methylsulfonyl-6-(1-propan-2-ylpyrazol-4-yl)oxyaniline
CID 116800626
1-[4-(2-chlorophenoxy)pyrazol-1-yl]propan-2-amine
CID 117125305
ethane;1-methyl-2-phenoxybenzene
CID 90950955
4-(1-propan-2-ylpyrazol-4-yl)oxy-2,1,3-benzoxadiazol-7-amine
CID 116800519

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylphenoxy)pyrazol-1-yl]ethanamine?
The IUPAC name of 1-[4-(2-methylphenoxy)pyrazol-1-yl]ethanamine (CID 117125191) is 1-[4-(2-methylphenoxy)pyrazol-1-yl]ethanamine.
What is the SMILES notation for 1-[4-(2-methylphenoxy)pyrazol-1-yl]ethanamine?
The canonical SMILES for 1-[4-(2-methylphenoxy)pyrazol-1-yl]ethanamine is Cc1ccccc1Oc1cnn(C(C)N)c1.
What is the InChIKey of 1-[4-(2-methylphenoxy)pyrazol-1-yl]ethanamine?
The InChIKey is GJZGAWSBDUYKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-9-5-3-4-6-12(9)16-11-7-14-15(8-11)10(2)13/h3-8,10H,13H2,1-2H3.
What are the key properties of 1-[4-(2-methylphenoxy)pyrazol-1-yl]ethanamine?
1-[4-(2-methylphenoxy)pyrazol-1-yl]ethanamine has a molecular weight of 217.27 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylphenoxy)pyrazol-1-yl]ethanamine is sourced from PubChem (CID 117125191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).