[2-methyl-6-(3,4,5-trimethylpyrazol-1-yl)-4-pyridinyl]methanol

C13H17N3O — CID 113378780

IUPAC[2-methyl-6-(3,4,5-trimethylpyrazol-1-yl)-4-pyridinyl]methanol
SMILESCc1cc(CO)cc(-n2nc(C)c(C)c2C)n1
InChIInChI=1S/C13H17N3O/c1-8-5-12(7-17)6-13(14-8)16-11(4)9(2)10(3)15-16/h5-6,17H,7H2,1-4H3
InChIKeyGGZWBJDRYVBFMX-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.99
Rot. Bonds2

About [2-methyl-6-(3,4,5-trimethylpyrazol-1-yl)-4-pyridinyl]methanol

[2-methyl-6-(3,4,5-trimethylpyrazol-1-yl)-4-pyridinyl]methanol (PubChem CID 113378780) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is [2-methyl-6-(3,4,5-trimethylpyrazol-1-yl)-4-pyridinyl]methanol.

Molecular Properties

Compound Name[2-methyl-6-(3,4,5-trimethylpyrazol-1-yl)-4-pyridinyl]methanol
PubChem CID113378780
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name[2-methyl-6-(3,4,5-trimethylpyrazol-1-yl)-4-pyridinyl]methanol
SMILESCc1cc(CO)cc(-n2nc(C)c(C)c2C)n1
InChIInChI=1S/C13H17N3O/c1-8-5-12(7-17)6-13(14-8)16-11(4)9(2)10(3)15-16/h5-6,17H,7H2,1-4H3
InChIKeyGGZWBJDRYVBFMX-UHFFFAOYSA-N
XLogP1.99
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-methyl-6-(3,4,5-trimethylpyrazol-1-yl)-4-pyridinyl]methanol?
The IUPAC name of [2-methyl-6-(3,4,5-trimethylpyrazol-1-yl)-4-pyridinyl]methanol (CID 113378780) is [2-methyl-6-(3,4,5-trimethylpyrazol-1-yl)-4-pyridinyl]methanol.
What is the SMILES notation for [2-methyl-6-(3,4,5-trimethylpyrazol-1-yl)-4-pyridinyl]methanol?
The canonical SMILES for [2-methyl-6-(3,4,5-trimethylpyrazol-1-yl)-4-pyridinyl]methanol is Cc1cc(CO)cc(-n2nc(C)c(C)c2C)n1.
What is the InChIKey of [2-methyl-6-(3,4,5-trimethylpyrazol-1-yl)-4-pyridinyl]methanol?
The InChIKey is GGZWBJDRYVBFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-8-5-12(7-17)6-13(14-8)16-11(4)9(2)10(3)15-16/h5-6,17H,7H2,1-4H3.
What are the key properties of [2-methyl-6-(3,4,5-trimethylpyrazol-1-yl)-4-pyridinyl]methanol?
[2-methyl-6-(3,4,5-trimethylpyrazol-1-yl)-4-pyridinyl]methanol has a molecular weight of 231.30 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-6-(3,4,5-trimethylpyrazol-1-yl)-4-pyridinyl]methanol is sourced from PubChem (CID 113378780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).