2-[6-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-3-pyridinyl]propan-2-ol

C21H25N3O2 — CID 118430402

IUPAC2-[6-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-3-pyridinyl]propan-2-ol
SMILESCCOc1nn(-c2ccc(C(C)(C)O)cn2)c(C)c1Cc1ccccc1
InChIInChI=1S/C21H25N3O2/c1-5-26-20-18(13-16-9-7-6-8-10-16)15(2)24(23-20)19-12-11-17(14-22-19)21(3,4)25/h6-12,14,25H,5,13H2,1-4H3
InChIKeyXLXCNQMMZZWQJJ-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.79
Rot. Bonds6

About 2-[6-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-3-pyridinyl]propan-2-ol

2-[6-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-3-pyridinyl]propan-2-ol (PubChem CID 118430402) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 2-[6-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-3-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-[6-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-3-pyridinyl]propan-2-ol
PubChem CID118430402
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name2-[6-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-3-pyridinyl]propan-2-ol
SMILESCCOc1nn(-c2ccc(C(C)(C)O)cn2)c(C)c1Cc1ccccc1
InChIInChI=1S/C21H25N3O2/c1-5-26-20-18(13-16-9-7-6-8-10-16)15(2)24(23-20)19-12-11-17(14-22-19)21(3,4)25/h6-12,14,25H,5,13H2,1-4H3
InChIKeyXLXCNQMMZZWQJJ-UHFFFAOYSA-N
XLogP3.79
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-3-pyridinyl]propan-2-ol?
The IUPAC name of 2-[6-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-3-pyridinyl]propan-2-ol (CID 118430402) is 2-[6-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-3-pyridinyl]propan-2-ol.
What is the SMILES notation for 2-[6-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-3-pyridinyl]propan-2-ol?
The canonical SMILES for 2-[6-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-3-pyridinyl]propan-2-ol is CCOc1nn(-c2ccc(C(C)(C)O)cn2)c(C)c1Cc1ccccc1.
What is the InChIKey of 2-[6-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-3-pyridinyl]propan-2-ol?
The InChIKey is XLXCNQMMZZWQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-5-26-20-18(13-16-9-7-6-8-10-16)15(2)24(23-20)19-12-11-17(14-22-19)21(3,4)25/h6-12,14,25H,5,13H2,1-4H3.
What are the key properties of 2-[6-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-3-pyridinyl]propan-2-ol?
2-[6-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-3-pyridinyl]propan-2-ol has a molecular weight of 351.45 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-3-pyridinyl]propan-2-ol is sourced from PubChem (CID 118430402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).