1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methylsulfonylcyclopentan-1-ol

C12H19ClN2O3S — CID 114636158

IUPAC1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methylsulfonylcyclopentan-1-ol
SMILESCC(C)n1ncc(Cl)c1C1(O)CCCC1S(C)(=O)=O
InChIInChI=1S/C12H19ClN2O3S/c1-8(2)15-11(9(13)7-14-15)12(16)6-4-5-10(12)19(3,17)18/h7-8,10,16H,4-6H2,1-3H3
InChIKeyPSETWWMUJUPIRZ-UHFFFAOYSA-N
MW306.81 g/mol
LogP1.90
Rot. Bonds3

About 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methylsulfonylcyclopentan-1-ol

1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methylsulfonylcyclopentan-1-ol (PubChem CID 114636158) has the molecular formula C12H19ClN2O3S and a molecular weight of 306.81 g/mol. Its IUPAC name is 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methylsulfonylcyclopentan-1-ol.

Molecular Properties

Compound Name1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methylsulfonylcyclopentan-1-ol
PubChem CID114636158
Molecular FormulaC12H19ClN2O3S
Molecular Weight306.81 g/mol
Exact Mass306.08
IUPAC Name1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methylsulfonylcyclopentan-1-ol
SMILESCC(C)n1ncc(Cl)c1C1(O)CCCC1S(C)(=O)=O
InChIInChI=1S/C12H19ClN2O3S/c1-8(2)15-11(9(13)7-14-15)12(16)6-4-5-10(12)19(3,17)18/h7-8,10,16H,4-6H2,1-3H3
InChIKeyPSETWWMUJUPIRZ-UHFFFAOYSA-N
XLogP1.90
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.81
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3-ethylpiperidin-4-ol
CID 114638690
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2,4,4-trimethylcyclopentan-1-ol
CID 106663731
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3-propan-2-ylcyclobutan-1-ol
CID 103564145
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3,5-dimethylcyclohexan-1-ol
CID 114636022
4-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2,2-dimethyloxan-4-ol
CID 114635852
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(1-hydroxycyclohexyl)methanone
CID 103449641
1-isoquinolin-4-yl-2-methylsulfonylcyclopentan-1-ol
CID 65049610
1-[(4-chloro-1-propan-2-ylpyrazol-5-yl)-hydroxymethyl]cycloheptan-1-ol
CID 103452008
4-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-propyloxan-4-ol
CID 114635824
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-3-ethylcyclohexan-1-ol
CID 114635903
1-(4-chloro-1-propylpyrazol-5-yl)-2-methylcyclopentan-1-ol
CID 114636173
2-tert-butyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)cyclohexan-1-ol
CID 114633215

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methylsulfonylcyclopentan-1-ol?
The IUPAC name of 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methylsulfonylcyclopentan-1-ol (CID 114636158) is 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methylsulfonylcyclopentan-1-ol.
What is the SMILES notation for 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methylsulfonylcyclopentan-1-ol?
The canonical SMILES for 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methylsulfonylcyclopentan-1-ol is CC(C)n1ncc(Cl)c1C1(O)CCCC1S(C)(=O)=O.
What is the InChIKey of 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methylsulfonylcyclopentan-1-ol?
The InChIKey is PSETWWMUJUPIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O3S/c1-8(2)15-11(9(13)7-14-15)12(16)6-4-5-10(12)19(3,17)18/h7-8,10,16H,4-6H2,1-3H3.
What are the key properties of 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methylsulfonylcyclopentan-1-ol?
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methylsulfonylcyclopentan-1-ol has a molecular weight of 306.81 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methylsulfonylcyclopentan-1-ol is sourced from PubChem (CID 114636158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).