2-methyl-1-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]sulfonylpropan-2-ol

C19H21N3O4S — CID 146658395

IUPAC2-methyl-1-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]sulfonylpropan-2-ol
SMILESCC(C)(O)CS(=O)(=O)c1cccc(COc2ccc(-c3ccn[nH]3)nc2)c1
InChIInChI=1S/C19H21N3O4S/c1-19(2,23)13-27(24,25)16-5-3-4-14(10-16)12-26-15-6-7-17(20-11-15)18-8-9-21-22-18/h3-11,23H,12-13H2,1-2H3,(H,21,22)
InChIKeyMTILQKIHXABZFP-UHFFFAOYSA-N
MW387.46 g/mol
LogP2.60
Rot. Bonds7

About 2-methyl-1-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]sulfonylpropan-2-ol

2-methyl-1-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]sulfonylpropan-2-ol (PubChem CID 146658395) has the molecular formula C19H21N3O4S and a molecular weight of 387.46 g/mol. Its IUPAC name is 2-methyl-1-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]sulfonylpropan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]sulfonylpropan-2-ol
PubChem CID146658395
Molecular FormulaC19H21N3O4S
Molecular Weight387.46 g/mol
Exact Mass387.13
IUPAC Name2-methyl-1-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]sulfonylpropan-2-ol
SMILESCC(C)(O)CS(=O)(=O)c1cccc(COc2ccc(-c3ccn[nH]3)nc2)c1
InChIInChI=1S/C19H21N3O4S/c1-19(2,23)13-27(24,25)16-5-3-4-14(10-16)12-26-15-6-7-17(20-11-15)18-8-9-21-22-18/h3-11,23H,12-13H2,1-2H3,(H,21,22)
InChIKeyMTILQKIHXABZFP-UHFFFAOYSA-N
XLogP2.60
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]sulfonylpropan-2-ol?
The IUPAC name of 2-methyl-1-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]sulfonylpropan-2-ol (CID 146658395) is 2-methyl-1-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]sulfonylpropan-2-ol.
What is the SMILES notation for 2-methyl-1-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]sulfonylpropan-2-ol?
The canonical SMILES for 2-methyl-1-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]sulfonylpropan-2-ol is CC(C)(O)CS(=O)(=O)c1cccc(COc2ccc(-c3ccn[nH]3)nc2)c1.
What is the InChIKey of 2-methyl-1-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]sulfonylpropan-2-ol?
The InChIKey is MTILQKIHXABZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4S/c1-19(2,23)13-27(24,25)16-5-3-4-14(10-16)12-26-15-6-7-17(20-11-15)18-8-9-21-22-18/h3-11,23H,12-13H2,1-2H3,(H,21,22).
What are the key properties of 2-methyl-1-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]sulfonylpropan-2-ol?
2-methyl-1-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]sulfonylpropan-2-ol has a molecular weight of 387.46 g/mol, XLogP of 2.60, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]sulfonylpropan-2-ol is sourced from PubChem (CID 146658395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).