3-(2-ethoxyphenyl)-1-pyrimidin-2-ylpyrazol-4-amine

C15H15N5O — CID 83203319

IUPAC3-(2-ethoxyphenyl)-1-pyrimidin-2-ylpyrazol-4-amine
SMILESCCOc1ccccc1-c1nn(-c2ncccn2)cc1N
InChIInChI=1S/C15H15N5O/c1-2-21-13-7-4-3-6-11(13)14-12(16)10-20(19-14)15-17-8-5-9-18-15/h3-10H,2,16H2,1H3
InChIKeyBPSGLBJMEGYWPU-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.31
Rot. Bonds4

About 3-(2-ethoxyphenyl)-1-pyrimidin-2-ylpyrazol-4-amine

3-(2-ethoxyphenyl)-1-pyrimidin-2-ylpyrazol-4-amine (PubChem CID 83203319) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is 3-(2-ethoxyphenyl)-1-pyrimidin-2-ylpyrazol-4-amine.

Molecular Properties

Compound Name3-(2-ethoxyphenyl)-1-pyrimidin-2-ylpyrazol-4-amine
PubChem CID83203319
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name3-(2-ethoxyphenyl)-1-pyrimidin-2-ylpyrazol-4-amine
SMILESCCOc1ccccc1-c1nn(-c2ncccn2)cc1N
InChIInChI=1S/C15H15N5O/c1-2-21-13-7-4-3-6-11(13)14-12(16)10-20(19-14)15-17-8-5-9-18-15/h3-10H,2,16H2,1H3
InChIKeyBPSGLBJMEGYWPU-UHFFFAOYSA-N
XLogP2.31
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyphenyl)-1-pyrimidin-2-ylpyrazol-4-amine?
The IUPAC name of 3-(2-ethoxyphenyl)-1-pyrimidin-2-ylpyrazol-4-amine (CID 83203319) is 3-(2-ethoxyphenyl)-1-pyrimidin-2-ylpyrazol-4-amine.
What is the SMILES notation for 3-(2-ethoxyphenyl)-1-pyrimidin-2-ylpyrazol-4-amine?
The canonical SMILES for 3-(2-ethoxyphenyl)-1-pyrimidin-2-ylpyrazol-4-amine is CCOc1ccccc1-c1nn(-c2ncccn2)cc1N.
What is the InChIKey of 3-(2-ethoxyphenyl)-1-pyrimidin-2-ylpyrazol-4-amine?
The InChIKey is BPSGLBJMEGYWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c1-2-21-13-7-4-3-6-11(13)14-12(16)10-20(19-14)15-17-8-5-9-18-15/h3-10H,2,16H2,1H3.
What are the key properties of 3-(2-ethoxyphenyl)-1-pyrimidin-2-ylpyrazol-4-amine?
3-(2-ethoxyphenyl)-1-pyrimidin-2-ylpyrazol-4-amine has a molecular weight of 281.32 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyphenyl)-1-pyrimidin-2-ylpyrazol-4-amine is sourced from PubChem (CID 83203319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).