[2,6-dimethyl-4-(1-propan-2-ylsulfonylpyrazol-4-yl)phenyl]methanol

C15H20N2O3S — CID 172876876

IUPAC[2,6-dimethyl-4-(1-propan-2-ylsulfonylpyrazol-4-yl)phenyl]methanol
SMILESCc1cc(-c2cnn(S(=O)(=O)C(C)C)c2)cc(C)c1CO
InChIInChI=1S/C15H20N2O3S/c1-10(2)21(19,20)17-8-14(7-16-17)13-5-11(3)15(9-18)12(4)6-13/h5-8,10,18H,9H2,1-4H3
InChIKeyYHLKSLYQBCNIBL-UHFFFAOYSA-N
MW308.40 g/mol
LogP2.25
Rot. Bonds4

About [2,6-dimethyl-4-(1-propan-2-ylsulfonylpyrazol-4-yl)phenyl]methanol

[2,6-dimethyl-4-(1-propan-2-ylsulfonylpyrazol-4-yl)phenyl]methanol (PubChem CID 172876876) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is [2,6-dimethyl-4-(1-propan-2-ylsulfonylpyrazol-4-yl)phenyl]methanol.

Molecular Properties

Compound Name[2,6-dimethyl-4-(1-propan-2-ylsulfonylpyrazol-4-yl)phenyl]methanol
PubChem CID172876876
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name[2,6-dimethyl-4-(1-propan-2-ylsulfonylpyrazol-4-yl)phenyl]methanol
SMILESCc1cc(-c2cnn(S(=O)(=O)C(C)C)c2)cc(C)c1CO
InChIInChI=1S/C15H20N2O3S/c1-10(2)21(19,20)17-8-14(7-16-17)13-5-11(3)15(9-18)12(4)6-13/h5-8,10,18H,9H2,1-4H3
InChIKeyYHLKSLYQBCNIBL-UHFFFAOYSA-N
XLogP2.25
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2,6-dimethyl-4-(1-propan-2-ylsulfonylpyrazol-4-yl)phenyl]methanol?
The IUPAC name of [2,6-dimethyl-4-(1-propan-2-ylsulfonylpyrazol-4-yl)phenyl]methanol (CID 172876876) is [2,6-dimethyl-4-(1-propan-2-ylsulfonylpyrazol-4-yl)phenyl]methanol.
What is the SMILES notation for [2,6-dimethyl-4-(1-propan-2-ylsulfonylpyrazol-4-yl)phenyl]methanol?
The canonical SMILES for [2,6-dimethyl-4-(1-propan-2-ylsulfonylpyrazol-4-yl)phenyl]methanol is Cc1cc(-c2cnn(S(=O)(=O)C(C)C)c2)cc(C)c1CO.
What is the InChIKey of [2,6-dimethyl-4-(1-propan-2-ylsulfonylpyrazol-4-yl)phenyl]methanol?
The InChIKey is YHLKSLYQBCNIBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-10(2)21(19,20)17-8-14(7-16-17)13-5-11(3)15(9-18)12(4)6-13/h5-8,10,18H,9H2,1-4H3.
What are the key properties of [2,6-dimethyl-4-(1-propan-2-ylsulfonylpyrazol-4-yl)phenyl]methanol?
[2,6-dimethyl-4-(1-propan-2-ylsulfonylpyrazol-4-yl)phenyl]methanol has a molecular weight of 308.40 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-dimethyl-4-(1-propan-2-ylsulfonylpyrazol-4-yl)phenyl]methanol is sourced from PubChem (CID 172876876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).