3-(5-chloro-4-ethyl-3-methylpyrazol-1-yl)thiolane 1,1-dioxide

C10H15ClN2O2S — CID 66021750

IUPAC3-(5-chloro-4-ethyl-3-methylpyrazol-1-yl)thiolane 1,1-dioxide
SMILESCCc1c(C)nn(C2CCS(=O)(=O)C2)c1Cl
InChIInChI=1S/C10H15ClN2O2S/c1-3-9-7(2)12-13(10(9)11)8-4-5-16(14,15)6-8/h8H,3-6H2,1-2H3
InChIKeyURVBHTUZBXAHPO-UHFFFAOYSA-N
MW262.76 g/mol
LogP1.77
Rot. Bonds2

About 3-(5-chloro-4-ethyl-3-methylpyrazol-1-yl)thiolane 1,1-dioxide

3-(5-chloro-4-ethyl-3-methylpyrazol-1-yl)thiolane 1,1-dioxide (PubChem CID 66021750) has the molecular formula C10H15ClN2O2S and a molecular weight of 262.76 g/mol. Its IUPAC name is 3-(5-chloro-4-ethyl-3-methylpyrazol-1-yl)thiolane 1,1-dioxide.

Molecular Properties

Compound Name3-(5-chloro-4-ethyl-3-methylpyrazol-1-yl)thiolane 1,1-dioxide
PubChem CID66021750
Molecular FormulaC10H15ClN2O2S
Molecular Weight262.76 g/mol
Exact Mass262.05
IUPAC Name3-(5-chloro-4-ethyl-3-methylpyrazol-1-yl)thiolane 1,1-dioxide
SMILESCCc1c(C)nn(C2CCS(=O)(=O)C2)c1Cl
InChIInChI=1S/C10H15ClN2O2S/c1-3-9-7(2)12-13(10(9)11)8-4-5-16(14,15)6-8/h8H,3-6H2,1-2H3
InChIKeyURVBHTUZBXAHPO-UHFFFAOYSA-N
XLogP1.77
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.76
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-1-cycloheptyl-4-ethyl-3-methylpyrazole
CID 66023049
1-[1-(1,1-dioxothiolan-3-yl)-3,5-dimethylpyrazol-4-yl]butan-2-amine
CID 62730792
N-[[1-(1,1-dioxothiolan-3-yl)-3,5-dimethylpyrazol-4-yl]methyl]hydroxylamine
CID 82685721
3-[5-chloro-4-(chloromethyl)-3-(methoxymethyl)pyrazol-1-yl]thiolane 1,1-dioxide
CID 55062497
2-[1-(1,1-dioxothiolan-3-yl)-3,5-dimethylpyrazol-4-yl]-N-ethylethanamine
CID 79219842
3-[5-chloro-4-methyl-3-(trifluoromethyl)pyrazol-1-yl]thiolane 1,1-dioxide
CID 66021959
3-[1-(1,1-dioxothiolan-3-yl)-3,5-dimethylpyrazol-4-yl]propanoic acid
CID 16789231
5-chloro-1-(1,1-dioxothiolan-3-yl)-3-propylpyrazole-4-carboxylic acid
CID 43145623
(3S)-3-(4-iodo-3,5-dimethylpyrazol-1-yl)thiolane 1,1-dioxide
CID 97161027
N-[(2,6-dichlorophenyl)methyl]-1-[1-[(3R)-1,1-dioxothiolan-3-yl]-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine
CID 8994602
N-[[1-(1,1-dioxothiolan-3-yl)-3,5-dimethylpyrazol-4-yl]methyl]cyclobutanamine
CID 62416706
ethyl N-[[1-[(3R)-1,1-dioxothiolan-3-yl]-3,5-dimethylpyrazol-4-yl]methyl]carbamate
CID 99975776

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-4-ethyl-3-methylpyrazol-1-yl)thiolane 1,1-dioxide?
The IUPAC name of 3-(5-chloro-4-ethyl-3-methylpyrazol-1-yl)thiolane 1,1-dioxide (CID 66021750) is 3-(5-chloro-4-ethyl-3-methylpyrazol-1-yl)thiolane 1,1-dioxide.
What is the SMILES notation for 3-(5-chloro-4-ethyl-3-methylpyrazol-1-yl)thiolane 1,1-dioxide?
The canonical SMILES for 3-(5-chloro-4-ethyl-3-methylpyrazol-1-yl)thiolane 1,1-dioxide is CCc1c(C)nn(C2CCS(=O)(=O)C2)c1Cl.
What is the InChIKey of 3-(5-chloro-4-ethyl-3-methylpyrazol-1-yl)thiolane 1,1-dioxide?
The InChIKey is URVBHTUZBXAHPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O2S/c1-3-9-7(2)12-13(10(9)11)8-4-5-16(14,15)6-8/h8H,3-6H2,1-2H3.
What are the key properties of 3-(5-chloro-4-ethyl-3-methylpyrazol-1-yl)thiolane 1,1-dioxide?
3-(5-chloro-4-ethyl-3-methylpyrazol-1-yl)thiolane 1,1-dioxide has a molecular weight of 262.76 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-4-ethyl-3-methylpyrazol-1-yl)thiolane 1,1-dioxide is sourced from PubChem (CID 66021750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).