4-(4-chlorophenyl)-1-(1,1-dioxothiolan-3-yl)pyrazol-5-amine

C13H14ClN3O2S — CID 3822883

IUPAC4-(4-chlorophenyl)-1-(1,1-dioxothiolan-3-yl)pyrazol-5-amine
SMILESNc1c(-c2ccc(Cl)cc2)cnn1C1CCS(=O)(=O)C1
InChIInChI=1S/C13H14ClN3O2S/c14-10-3-1-9(2-4-10)12-7-16-17(13(12)15)11-5-6-20(18,19)8-11/h1-4,7,11H,5-6,8,15H2
InChIKeyWWWUFECUNXXACK-UHFFFAOYSA-N
MW311.79 g/mol
LogP2.15
Rot. Bonds2

About 4-(4-chlorophenyl)-1-(1,1-dioxothiolan-3-yl)pyrazol-5-amine

4-(4-chlorophenyl)-1-(1,1-dioxothiolan-3-yl)pyrazol-5-amine (PubChem CID 3822883) has the molecular formula C13H14ClN3O2S and a molecular weight of 311.79 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-(1,1-dioxothiolan-3-yl)pyrazol-5-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-(1,1-dioxothiolan-3-yl)pyrazol-5-amine
PubChem CID3822883
Molecular FormulaC13H14ClN3O2S
Molecular Weight311.79 g/mol
Exact Mass311.05
IUPAC Name4-(4-chlorophenyl)-1-(1,1-dioxothiolan-3-yl)pyrazol-5-amine
SMILESNc1c(-c2ccc(Cl)cc2)cnn1C1CCS(=O)(=O)C1
InChIInChI=1S/C13H14ClN3O2S/c14-10-3-1-9(2-4-10)12-7-16-17(13(12)15)11-5-6-20(18,19)8-11/h1-4,7,11H,5-6,8,15H2
InChIKeyWWWUFECUNXXACK-UHFFFAOYSA-N
XLogP2.15
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.79
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(4-chlorophenyl)-1-(1,1-dioxothiolan-3-yl)pyrazol-5-amine 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

2-(1,1-Dioxothiolan-3-yl)-4-(4-fluorophenyl)pyrazol-3-amine
CID 3813795
3-(5-amino-4-phenyl-1H-pyrazol-1-yl)tetrahydro-1H-1lambda~6~-thiophene-1,1-dione
CID 3809150
3-[5-Amino-3-(4-chlorophenyl)pyrazolyl]thiolane-1,1-dione
CID 43336877
1-[(3R)-1,1-dioxothiolan-3-yl]-4-(4-fluorophenyl)pyrazol-5-amine
CID 40518548
1-[(3S)-1,1-dioxothiolan-3-yl]-4-(4-fluorophenyl)pyrazol-5-amine
CID 40518552
3-(5-Chloro-2-fluorophenyl)-1-(1,1-dioxothiolan-3-yl)pyrazol-5-amine
CID 43159077
3-(2-Chloro-4-fluorophenyl)-1-(1,1-dioxothiolan-3-yl)pyrazol-5-amine
CID 43336864
3-(4-Chloro-2-fluorophenyl)-1-(1,1-dioxothiolan-3-yl)pyrazol-5-amine
CID 43336886
3-(2-Chloro-6-fluorophenyl)-1-(1,1-dioxothiolan-3-yl)pyrazol-5-amine
CID 43336894
3-(3-Chloro-2-fluorophenyl)-1-(1,1-dioxothiolan-3-yl)pyrazol-5-amine
CID 81264787
3-(2-Chloro-3-fluorophenyl)-1-(1,1-dioxothiolan-3-yl)pyrazol-5-amine
CID 81454167
3-(3-Chloro-4-fluorophenyl)-1-(1,1-dioxothiolan-3-yl)pyrazol-5-amine
CID 82877079

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-1-(1,1-dioxothiolan-3-yl)pyrazol-5-amine?
The IUPAC name of 4-(4-chlorophenyl)-1-(1,1-dioxothiolan-3-yl)pyrazol-5-amine (CID 3822883) is 4-(4-chlorophenyl)-1-(1,1-dioxothiolan-3-yl)pyrazol-5-amine.
What is the SMILES notation for 4-(4-chlorophenyl)-1-(1,1-dioxothiolan-3-yl)pyrazol-5-amine?
The canonical SMILES for 4-(4-chlorophenyl)-1-(1,1-dioxothiolan-3-yl)pyrazol-5-amine is Nc1c(-c2ccc(Cl)cc2)cnn1C1CCS(=O)(=O)C1.
What is the InChIKey of 4-(4-chlorophenyl)-1-(1,1-dioxothiolan-3-yl)pyrazol-5-amine?
The InChIKey is WWWUFECUNXXACK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2S/c14-10-3-1-9(2-4-10)12-7-16-17(13(12)15)11-5-6-20(18,19)8-11/h1-4,7,11H,5-6,8,15H2.
What are the key properties of 4-(4-chlorophenyl)-1-(1,1-dioxothiolan-3-yl)pyrazol-5-amine?
4-(4-chlorophenyl)-1-(1,1-dioxothiolan-3-yl)pyrazol-5-amine has a molecular weight of 311.79 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1-(1,1-dioxothiolan-3-yl)pyrazol-5-amine is sourced from PubChem (CID 3822883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).