2-methylsulfonyl-1-(1-propylpyrazol-4-yl)propan-1-ol

C10H18N2O3S — CID 114981633

IUPAC2-methylsulfonyl-1-(1-propylpyrazol-4-yl)propan-1-ol
SMILESCCCn1cc(C(O)C(C)S(C)(=O)=O)cn1
InChIInChI=1S/C10H18N2O3S/c1-4-5-12-7-9(6-11-12)10(13)8(2)16(3,14)15/h6-8,10,13H,4-5H2,1-3H3
InChIKeyORKNZOGYLOZDAO-UHFFFAOYSA-N
MW246.33 g/mol
LogP0.76
Rot. Bonds5

About 2-methylsulfonyl-1-(1-propylpyrazol-4-yl)propan-1-ol

2-methylsulfonyl-1-(1-propylpyrazol-4-yl)propan-1-ol (PubChem CID 114981633) has the molecular formula C10H18N2O3S and a molecular weight of 246.33 g/mol. Its IUPAC name is 2-methylsulfonyl-1-(1-propylpyrazol-4-yl)propan-1-ol.

Molecular Properties

Compound Name2-methylsulfonyl-1-(1-propylpyrazol-4-yl)propan-1-ol
PubChem CID114981633
Molecular FormulaC10H18N2O3S
Molecular Weight246.33 g/mol
Exact Mass246.10
IUPAC Name2-methylsulfonyl-1-(1-propylpyrazol-4-yl)propan-1-ol
SMILESCCCn1cc(C(O)C(C)S(C)(=O)=O)cn1
InChIInChI=1S/C10H18N2O3S/c1-4-5-12-7-9(6-11-12)10(13)8(2)16(3,14)15/h6-8,10,13H,4-5H2,1-3H3
InChIKeyORKNZOGYLOZDAO-UHFFFAOYSA-N
XLogP0.76
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methylsulfonyl-1-(1-propylpyrazol-4-yl)ethanol
CID 115601037
4-hydroxy-2,3-dimethyl-4-(1-propylpyrazol-4-yl)butanoic acid
CID 103572854
2-ethyl-1-(1-propylpyrazol-4-yl)butan-1-ol
CID 63895086
2-amino-3-methyl-1-(1-propylpyrazol-4-yl)butan-1-ol
CID 103572279
methanol;4-propan-2-yl-1-propylpyrazole
CID 164911743
3-methoxy-2-methyl-1-(1-propylpyrazol-4-yl)propan-1-ol
CID 116502650
3,4-dihydroxy-4-(1-propylpyrazol-4-yl)butanamide
CID 171898832
1-(1-ethylpyrazol-4-yl)propane-1,2-diol
CID 103452757
4-butan-2-yl-1-propylpyrazole
CID 130194925
2-methylsulfonyl-1-(3-propyltriazol-4-yl)propan-1-ol
CID 115834136
1-[1-(2-propan-2-ylsulfonylethyl)pyrazol-4-yl]propan-1-ol
CID 106730648
2,2-dimethyl-1-(1-propylpyrazol-4-yl)butan-1-ol
CID 114981636

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-1-(1-propylpyrazol-4-yl)propan-1-ol?
The IUPAC name of 2-methylsulfonyl-1-(1-propylpyrazol-4-yl)propan-1-ol (CID 114981633) is 2-methylsulfonyl-1-(1-propylpyrazol-4-yl)propan-1-ol.
What is the SMILES notation for 2-methylsulfonyl-1-(1-propylpyrazol-4-yl)propan-1-ol?
The canonical SMILES for 2-methylsulfonyl-1-(1-propylpyrazol-4-yl)propan-1-ol is CCCn1cc(C(O)C(C)S(C)(=O)=O)cn1.
What is the InChIKey of 2-methylsulfonyl-1-(1-propylpyrazol-4-yl)propan-1-ol?
The InChIKey is ORKNZOGYLOZDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3S/c1-4-5-12-7-9(6-11-12)10(13)8(2)16(3,14)15/h6-8,10,13H,4-5H2,1-3H3.
What are the key properties of 2-methylsulfonyl-1-(1-propylpyrazol-4-yl)propan-1-ol?
2-methylsulfonyl-1-(1-propylpyrazol-4-yl)propan-1-ol has a molecular weight of 246.33 g/mol, XLogP of 0.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-1-(1-propylpyrazol-4-yl)propan-1-ol is sourced from PubChem (CID 114981633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).