2-[5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-1-propylpyrazol-3-yl]propan-2-ol

C20H24N2O3S2 — CID 68655521

IUPAC2-[5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-1-propylpyrazol-3-yl]propan-2-ol
SMILESCCCn1nc(C(C)(C)O)cc1-c1ccc(-c2cccc(S(C)(=O)=O)c2)s1
InChIInChI=1S/C20H24N2O3S2/c1-5-11-22-16(13-19(21-22)20(2,3)23)18-10-9-17(26-18)14-7-6-8-15(12-14)27(4,24)25/h6-10,12-13,23H,5,11H2,1-4H3
InChIKeyOHUNVQOFIGRZAB-UHFFFAOYSA-N
MW404.56 g/mol
LogP4.32
Rot. Bonds6

About 2-[5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-1-propylpyrazol-3-yl]propan-2-ol

2-[5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-1-propylpyrazol-3-yl]propan-2-ol (PubChem CID 68655521) has the molecular formula C20H24N2O3S2 and a molecular weight of 404.56 g/mol. Its IUPAC name is 2-[5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-1-propylpyrazol-3-yl]propan-2-ol.

Molecular Properties

Compound Name2-[5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-1-propylpyrazol-3-yl]propan-2-ol
PubChem CID68655521
Molecular FormulaC20H24N2O3S2
Molecular Weight404.56 g/mol
Exact Mass404.12
IUPAC Name2-[5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-1-propylpyrazol-3-yl]propan-2-ol
SMILESCCCn1nc(C(C)(C)O)cc1-c1ccc(-c2cccc(S(C)(=O)=O)c2)s1
InChIInChI=1S/C20H24N2O3S2/c1-5-11-22-16(13-19(21-22)20(2,3)23)18-10-9-17(26-18)14-7-6-8-15(12-14)27(4,24)25/h6-10,12-13,23H,5,11H2,1-4H3
InChIKeyOHUNVQOFIGRZAB-UHFFFAOYSA-N
XLogP4.32
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.56
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(2-Chlorophenyl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol
CID 59631866
1H-Pyrazole-3-methanol, 5-[4-(methylsulfonyl)phenyl]-1-(phenylmethyl)-
CID 10088752
[1-(Cyclohexylmethyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methanol
CID 10089117
[1-Cyclohexyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methanol
CID 10131762
[1-Cycloheptyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methanol
CID 11439465
[1-Cyclopentyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methanol
CID 11198005
[1-(1,1-Dioxothian-4-yl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methanol
CID 11292051
[1-(2,6-Dimethylheptan-4-yl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methanol
CID 11326428
[1-Cyclooctyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methanol
CID 11439875
N-(2-(benzo[b]thiophen-2-yl)-2-hydroxypropyl)-1-isopropyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 86264027
alpha-[[Methyl[[5-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-thienyl]methyl]amino]methyl]-benzenemethanol
CID 10000765
N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonamide
CID 44241425

Frequently Asked Questions

What is the IUPAC name of 2-[5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-1-propylpyrazol-3-yl]propan-2-ol?
The IUPAC name of 2-[5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-1-propylpyrazol-3-yl]propan-2-ol (CID 68655521) is 2-[5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-1-propylpyrazol-3-yl]propan-2-ol.
What is the SMILES notation for 2-[5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-1-propylpyrazol-3-yl]propan-2-ol?
The canonical SMILES for 2-[5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-1-propylpyrazol-3-yl]propan-2-ol is CCCn1nc(C(C)(C)O)cc1-c1ccc(-c2cccc(S(C)(=O)=O)c2)s1.
What is the InChIKey of 2-[5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-1-propylpyrazol-3-yl]propan-2-ol?
The InChIKey is OHUNVQOFIGRZAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S2/c1-5-11-22-16(13-19(21-22)20(2,3)23)18-10-9-17(26-18)14-7-6-8-15(12-14)27(4,24)25/h6-10,12-13,23H,5,11H2,1-4H3.
What are the key properties of 2-[5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-1-propylpyrazol-3-yl]propan-2-ol?
2-[5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-1-propylpyrazol-3-yl]propan-2-ol has a molecular weight of 404.56 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-1-propylpyrazol-3-yl]propan-2-ol is sourced from PubChem (CID 68655521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).