1-(4-methoxyphenyl)-2-pyrazol-1-ylpropan-1-ol

C13H16N2O2 — CID 50989241

IUPAC1-(4-methoxyphenyl)-2-pyrazol-1-ylpropan-1-ol
SMILESCOc1ccc(C(O)C(C)n2cccn2)cc1
InChIInChI=1S/C13H16N2O2/c1-10(15-9-3-8-14-15)13(16)11-4-6-12(17-2)7-5-11/h3-10,13,16H,1-2H3
InChIKeyGDISAVSZXXPIDU-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.19
Rot. Bonds4

About 1-(4-methoxyphenyl)-2-pyrazol-1-ylpropan-1-ol

1-(4-methoxyphenyl)-2-pyrazol-1-ylpropan-1-ol (PubChem CID 50989241) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-pyrazol-1-ylpropan-1-ol.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-pyrazol-1-ylpropan-1-ol
PubChem CID50989241
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name1-(4-methoxyphenyl)-2-pyrazol-1-ylpropan-1-ol
SMILESCOc1ccc(C(O)C(C)n2cccn2)cc1
InChIInChI=1S/C13H16N2O2/c1-10(15-9-3-8-14-15)13(16)11-4-6-12(17-2)7-5-11/h3-10,13,16H,1-2H3
InChIKeyGDISAVSZXXPIDU-UHFFFAOYSA-N
XLogP2.19
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-pyrazol-1-ylpropan-1-ol?
The IUPAC name of 1-(4-methoxyphenyl)-2-pyrazol-1-ylpropan-1-ol (CID 50989241) is 1-(4-methoxyphenyl)-2-pyrazol-1-ylpropan-1-ol.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-pyrazol-1-ylpropan-1-ol?
The canonical SMILES for 1-(4-methoxyphenyl)-2-pyrazol-1-ylpropan-1-ol is COc1ccc(C(O)C(C)n2cccn2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-pyrazol-1-ylpropan-1-ol?
The InChIKey is GDISAVSZXXPIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-10(15-9-3-8-14-15)13(16)11-4-6-12(17-2)7-5-11/h3-10,13,16H,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-2-pyrazol-1-ylpropan-1-ol?
1-(4-methoxyphenyl)-2-pyrazol-1-ylpropan-1-ol has a molecular weight of 232.28 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-pyrazol-1-ylpropan-1-ol is sourced from PubChem (CID 50989241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).