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

C13H14ClN3O2S — CID 43336877

IUPAC3-(4-chlorophenyl)-1-(1,1-dioxothiolan-3-yl)pyrazol-5-amine
SMILESNc1cc(-c2ccc(Cl)cc2)nn1C1CCS(=O)(=O)C1
InChIInChI=1S/C13H14ClN3O2S/c14-10-3-1-9(2-4-10)12-7-13(15)17(16-12)11-5-6-20(18,19)8-11/h1-4,7,11H,5-6,8,15H2
InChIKeyZMUFSATWWRPCCV-UHFFFAOYSA-N
MW311.79 g/mol
LogP2.15
Rot. Bonds2

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

3-(4-chlorophenyl)-1-(1,1-dioxothiolan-3-yl)pyrazol-5-amine (PubChem CID 43336877) has the molecular formula C13H14ClN3O2S and a molecular weight of 311.79 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-(1,1-dioxothiolan-3-yl)pyrazol-5-amine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-(1,1-dioxothiolan-3-yl)pyrazol-5-amine
PubChem CID43336877
Molecular FormulaC13H14ClN3O2S
Molecular Weight311.79 g/mol
Exact Mass311.05
IUPAC Name3-(4-chlorophenyl)-1-(1,1-dioxothiolan-3-yl)pyrazol-5-amine
SMILESNc1cc(-c2ccc(Cl)cc2)nn1C1CCS(=O)(=O)C1
InChIInChI=1S/C13H14ClN3O2S/c14-10-3-1-9(2-4-10)12-7-13(15)17(16-12)11-5-6-20(18,19)8-11/h1-4,7,11H,5-6,8,15H2
InChIKeyZMUFSATWWRPCCV-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 3-(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

3-(4-Chlorophenyl)-1-Methyl-1H-Pyrazol-5-Amine
CID 2735304
4-(4-Chlorophenyl)-2-(1,1-dioxothiolan-3-yl)pyrazol-3-amine
CID 3822883
N-[3-(4-chlorophenyl)-1-methyl-1H-pyrazol-5-yl]-4-methylbenzenesulfonamide
CID 2813989
1-(4-chlorobenzyl)-3-methyl-1H-pyrazol-5-amine
CID 3161264
2-(4-Chloro-benzyl)-5-phenyl-2H-pyrazol-3-ylamine
CID 814441
N-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-4-fluorobenzenesulfonamide
CID 2813992
1-benzyl-3-(4-chlorophenyl)-1H-pyrazol-5-amine
CID 24156508
1-(1,1-dioxidotetrahydro-3-thienyl)-3-(4-methylphenyl)-1H-pyrazol-5-amine
CID 43336853
7-(4-Chlorophenyl)-6-(4-chlorophenyl)sulfonyl-5-methyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine
CID 90698365
7-(4-Chlorophenyl)-5-methyl-6-(4-methylphenyl)sulfonyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine
CID 90814205
6-Benzylsulfonyl-7-(3,4-dichlorophenyl)-5-methyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine
CID 90921664
7-(4-Chlorophenyl)-5-methyl-6-pyrrolidin-1-ylsulfonyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine
CID 90927213

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-(1,1-dioxothiolan-3-yl)pyrazol-5-amine?
The IUPAC name of 3-(4-chlorophenyl)-1-(1,1-dioxothiolan-3-yl)pyrazol-5-amine (CID 43336877) is 3-(4-chlorophenyl)-1-(1,1-dioxothiolan-3-yl)pyrazol-5-amine.
What is the SMILES notation for 3-(4-chlorophenyl)-1-(1,1-dioxothiolan-3-yl)pyrazol-5-amine?
The canonical SMILES for 3-(4-chlorophenyl)-1-(1,1-dioxothiolan-3-yl)pyrazol-5-amine is Nc1cc(-c2ccc(Cl)cc2)nn1C1CCS(=O)(=O)C1.
What is the InChIKey of 3-(4-chlorophenyl)-1-(1,1-dioxothiolan-3-yl)pyrazol-5-amine?
The InChIKey is ZMUFSATWWRPCCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2S/c14-10-3-1-9(2-4-10)12-7-13(15)17(16-12)11-5-6-20(18,19)8-11/h1-4,7,11H,5-6,8,15H2.
What are the key properties of 3-(4-chlorophenyl)-1-(1,1-dioxothiolan-3-yl)pyrazol-5-amine?
3-(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 3-(4-chlorophenyl)-1-(1,1-dioxothiolan-3-yl)pyrazol-5-amine is sourced from PubChem (CID 43336877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).