1-[2-(2,5-dimethylpyrazol-3-yl)oxyphenyl]ethanamine

C13H17N3O — CID 81346685

IUPAC1-[2-(2,5-dimethylpyrazol-3-yl)oxyphenyl]ethanamine
SMILESCc1cc(Oc2ccccc2C(C)N)n(C)n1
InChIInChI=1S/C13H17N3O/c1-9-8-13(16(3)15-9)17-12-7-5-4-6-11(12)10(2)14/h4-8,10H,14H2,1-3H3
InChIKeyVKSUWRILNLNHGP-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.54
Rot. Bonds3

About 1-[2-(2,5-dimethylpyrazol-3-yl)oxyphenyl]ethanamine

1-[2-(2,5-dimethylpyrazol-3-yl)oxyphenyl]ethanamine (PubChem CID 81346685) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-[2-(2,5-dimethylpyrazol-3-yl)oxyphenyl]ethanamine.

Molecular Properties

Compound Name1-[2-(2,5-dimethylpyrazol-3-yl)oxyphenyl]ethanamine
PubChem CID81346685
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name1-[2-(2,5-dimethylpyrazol-3-yl)oxyphenyl]ethanamine
SMILESCc1cc(Oc2ccccc2C(C)N)n(C)n1
InChIInChI=1S/C13H17N3O/c1-9-8-13(16(3)15-9)17-12-7-5-4-6-11(12)10(2)14/h4-8,10H,14H2,1-3H3
InChIKeyVKSUWRILNLNHGP-UHFFFAOYSA-N
XLogP2.54
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-dimethylpyrazol-3-yl)oxyphenyl]ethanamine?
The IUPAC name of 1-[2-(2,5-dimethylpyrazol-3-yl)oxyphenyl]ethanamine (CID 81346685) is 1-[2-(2,5-dimethylpyrazol-3-yl)oxyphenyl]ethanamine.
What is the SMILES notation for 1-[2-(2,5-dimethylpyrazol-3-yl)oxyphenyl]ethanamine?
The canonical SMILES for 1-[2-(2,5-dimethylpyrazol-3-yl)oxyphenyl]ethanamine is Cc1cc(Oc2ccccc2C(C)N)n(C)n1.
What is the InChIKey of 1-[2-(2,5-dimethylpyrazol-3-yl)oxyphenyl]ethanamine?
The InChIKey is VKSUWRILNLNHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-9-8-13(16(3)15-9)17-12-7-5-4-6-11(12)10(2)14/h4-8,10H,14H2,1-3H3.
What are the key properties of 1-[2-(2,5-dimethylpyrazol-3-yl)oxyphenyl]ethanamine?
1-[2-(2,5-dimethylpyrazol-3-yl)oxyphenyl]ethanamine has a molecular weight of 231.30 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-dimethylpyrazol-3-yl)oxyphenyl]ethanamine is sourced from PubChem (CID 81346685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).