3-[5-chloro-4-methyl-3-(trifluoromethyl)pyrazol-1-yl]thiolane 1,1-dioxide

C9H10ClF3N2O2S — CID 66021959

IUPAC3-[5-chloro-4-methyl-3-(trifluoromethyl)pyrazol-1-yl]thiolane 1,1-dioxide
SMILESCc1c(C(F)(F)F)nn(C2CCS(=O)(=O)C2)c1Cl
InChIInChI=1S/C9H10ClF3N2O2S/c1-5-7(9(11,12)13)14-15(8(5)10)6-2-3-18(16,17)4-6/h6H,2-4H2,1H3
InChIKeyHVSUVHPTWDLXBJ-UHFFFAOYSA-N
MW302.71 g/mol
LogP2.22
Rot. Bonds1

About 3-[5-chloro-4-methyl-3-(trifluoromethyl)pyrazol-1-yl]thiolane 1,1-dioxide

3-[5-chloro-4-methyl-3-(trifluoromethyl)pyrazol-1-yl]thiolane 1,1-dioxide (PubChem CID 66021959) has the molecular formula C9H10ClF3N2O2S and a molecular weight of 302.71 g/mol. Its IUPAC name is 3-[5-chloro-4-methyl-3-(trifluoromethyl)pyrazol-1-yl]thiolane 1,1-dioxide.

Molecular Properties

Compound Name3-[5-chloro-4-methyl-3-(trifluoromethyl)pyrazol-1-yl]thiolane 1,1-dioxide
PubChem CID66021959
Molecular FormulaC9H10ClF3N2O2S
Molecular Weight302.71 g/mol
Exact Mass302.01
IUPAC Name3-[5-chloro-4-methyl-3-(trifluoromethyl)pyrazol-1-yl]thiolane 1,1-dioxide
SMILESCc1c(C(F)(F)F)nn(C2CCS(=O)(=O)C2)c1Cl
InChIInChI=1S/C9H10ClF3N2O2S/c1-5-7(9(11,12)13)14-15(8(5)10)6-2-3-18(16,17)4-6/h6H,2-4H2,1H3
InChIKeyHVSUVHPTWDLXBJ-UHFFFAOYSA-N
XLogP2.22
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.71
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[5-chloro-4-methyl-3-(trifluoromethyl)pyrazol-1-yl]thiolane 1,1-dioxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-tert-butyl-5-chloro-1-(1,1-dioxothiolan-3-yl)pyrazole-4-carbonitrile
CID 63788772
3-(5-chloro-4-ethyl-3-methylpyrazol-1-yl)thiolane 1,1-dioxide
CID 66021750
5-cyclopropyl-2-(1,1-dioxothiolan-3-yl)-4-methylpyrazol-3-amine
CID 43159036
5-chloro-1-(1,1-dioxothiolan-3-yl)-3-propylpyrazole-4-carboxylic acid
CID 43145623
5-chloro-1-(1,1-dioxothiolan-3-yl)-3-propan-2-ylpyrazole-4-carbonitrile
CID 63788599
5-cyclopentyl-2-(1,1-dioxothiolan-3-yl)-4-methylpyrazol-3-amine
CID 43336829
(3S)-3-[3-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]thiolane 1,1-dioxide
CID 97127725
3-[5-chloro-4-(chloromethyl)-3-(methoxymethyl)pyrazol-1-yl]thiolane 1,1-dioxide
CID 55062497
(3S)-3-(4-iodo-3,5-dimethylpyrazol-1-yl)thiolane 1,1-dioxide
CID 97161027
5-chloro-1-cycloheptyl-4-nitro-3-(trifluoromethyl)pyrazole
CID 66023050
1-[(3S)-1,1-dioxothiolan-3-yl]-3,5-dimethylpyrazole-4-sulfonyl chloride
CID 98116238
1-[(3S)-1,1-dioxothiolan-3-yl]-5-methylpyrazol-3-amine
CID 94547847

Frequently Asked Questions

What is the IUPAC name of 3-[5-chloro-4-methyl-3-(trifluoromethyl)pyrazol-1-yl]thiolane 1,1-dioxide?
The IUPAC name of 3-[5-chloro-4-methyl-3-(trifluoromethyl)pyrazol-1-yl]thiolane 1,1-dioxide (CID 66021959) is 3-[5-chloro-4-methyl-3-(trifluoromethyl)pyrazol-1-yl]thiolane 1,1-dioxide.
What is the SMILES notation for 3-[5-chloro-4-methyl-3-(trifluoromethyl)pyrazol-1-yl]thiolane 1,1-dioxide?
The canonical SMILES for 3-[5-chloro-4-methyl-3-(trifluoromethyl)pyrazol-1-yl]thiolane 1,1-dioxide is Cc1c(C(F)(F)F)nn(C2CCS(=O)(=O)C2)c1Cl.
What is the InChIKey of 3-[5-chloro-4-methyl-3-(trifluoromethyl)pyrazol-1-yl]thiolane 1,1-dioxide?
The InChIKey is HVSUVHPTWDLXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF3N2O2S/c1-5-7(9(11,12)13)14-15(8(5)10)6-2-3-18(16,17)4-6/h6H,2-4H2,1H3.
What are the key properties of 3-[5-chloro-4-methyl-3-(trifluoromethyl)pyrazol-1-yl]thiolane 1,1-dioxide?
3-[5-chloro-4-methyl-3-(trifluoromethyl)pyrazol-1-yl]thiolane 1,1-dioxide has a molecular weight of 302.71 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-chloro-4-methyl-3-(trifluoromethyl)pyrazol-1-yl]thiolane 1,1-dioxide is sourced from PubChem (CID 66021959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).