[(5S)-5-hydroxy-3-methyl-5-pyridin-4-yl-4H-pyrazol-1-yl]-pyridin-4-ylmethanone

C15H14N4O2 — CID 768635

IUPAC[(5S)-5-hydroxy-3-methyl-5-pyridin-4-yl-4H-pyrazol-1-yl]-pyridin-4-ylmethanone
SMILESCC1=NN(C(=O)c2ccncc2)[C@@](O)(c2ccncc2)C1
InChIInChI=1S/C15H14N4O2/c1-11-10-15(21,13-4-8-17-9-5-13)19(18-11)14(20)12-2-6-16-7-3-12/h2-9,21H,10H2,1H3/t15-/m0/s1
InChIKeyPJEBJEZGIIXLIO-HNNXBMFYSA-N
MW282.30 g/mol
LogP1.54
Rot. Bonds2

About [(5S)-5-hydroxy-3-methyl-5-pyridin-4-yl-4H-pyrazol-1-yl]-pyridin-4-ylmethanone

[(5S)-5-hydroxy-3-methyl-5-pyridin-4-yl-4H-pyrazol-1-yl]-pyridin-4-ylmethanone (PubChem CID 768635) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is [(5S)-5-hydroxy-3-methyl-5-pyridin-4-yl-4H-pyrazol-1-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[(5S)-5-hydroxy-3-methyl-5-pyridin-4-yl-4H-pyrazol-1-yl]-pyridin-4-ylmethanone
PubChem CID768635
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name[(5S)-5-hydroxy-3-methyl-5-pyridin-4-yl-4H-pyrazol-1-yl]-pyridin-4-ylmethanone
SMILESCC1=NN(C(=O)c2ccncc2)[C@@](O)(c2ccncc2)C1
InChIInChI=1S/C15H14N4O2/c1-11-10-15(21,13-4-8-17-9-5-13)19(18-11)14(20)12-2-6-16-7-3-12/h2-9,21H,10H2,1H3/t15-/m0/s1
InChIKeyPJEBJEZGIIXLIO-HNNXBMFYSA-N
XLogP1.54
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(5S)-5-hydroxy-3-methyl-5-pyridin-4-yl-4H-pyrazol-1-yl]-pyridin-4-ylmethanone?
The IUPAC name of [(5S)-5-hydroxy-3-methyl-5-pyridin-4-yl-4H-pyrazol-1-yl]-pyridin-4-ylmethanone (CID 768635) is [(5S)-5-hydroxy-3-methyl-5-pyridin-4-yl-4H-pyrazol-1-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [(5S)-5-hydroxy-3-methyl-5-pyridin-4-yl-4H-pyrazol-1-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [(5S)-5-hydroxy-3-methyl-5-pyridin-4-yl-4H-pyrazol-1-yl]-pyridin-4-ylmethanone is CC1=NN(C(=O)c2ccncc2)[C@@](O)(c2ccncc2)C1.
What is the InChIKey of [(5S)-5-hydroxy-3-methyl-5-pyridin-4-yl-4H-pyrazol-1-yl]-pyridin-4-ylmethanone?
The InChIKey is PJEBJEZGIIXLIO-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-11-10-15(21,13-4-8-17-9-5-13)19(18-11)14(20)12-2-6-16-7-3-12/h2-9,21H,10H2,1H3/t15-/m0/s1.
What are the key properties of [(5S)-5-hydroxy-3-methyl-5-pyridin-4-yl-4H-pyrazol-1-yl]-pyridin-4-ylmethanone?
[(5S)-5-hydroxy-3-methyl-5-pyridin-4-yl-4H-pyrazol-1-yl]-pyridin-4-ylmethanone has a molecular weight of 282.30 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S)-5-hydroxy-3-methyl-5-pyridin-4-yl-4H-pyrazol-1-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 768635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).