3-(2,5-dichlorophenyl)sulfanyl-1-methylpyrazol-4-amine

C10H9Cl2N3S — CID 103079526

IUPAC3-(2,5-dichlorophenyl)sulfanyl-1-methylpyrazol-4-amine
SMILESCn1cc(N)c(Sc2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C10H9Cl2N3S/c1-15-5-8(13)10(14-15)16-9-4-6(11)2-3-7(9)12/h2-5H,13H2,1H3
InChIKeyJHTPFYQTEIZOQJ-UHFFFAOYSA-N
MW274.18 g/mol
LogP3.46
Rot. Bonds2

About 3-(2,5-dichlorophenyl)sulfanyl-1-methylpyrazol-4-amine

3-(2,5-dichlorophenyl)sulfanyl-1-methylpyrazol-4-amine (PubChem CID 103079526) has the molecular formula C10H9Cl2N3S and a molecular weight of 274.18 g/mol. Its IUPAC name is 3-(2,5-dichlorophenyl)sulfanyl-1-methylpyrazol-4-amine.

Molecular Properties

Compound Name3-(2,5-dichlorophenyl)sulfanyl-1-methylpyrazol-4-amine
PubChem CID103079526
Molecular FormulaC10H9Cl2N3S
Molecular Weight274.18 g/mol
Exact Mass272.99
IUPAC Name3-(2,5-dichlorophenyl)sulfanyl-1-methylpyrazol-4-amine
SMILESCn1cc(N)c(Sc2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C10H9Cl2N3S/c1-15-5-8(13)10(14-15)16-9-4-6(11)2-3-7(9)12/h2-5H,13H2,1H3
InChIKeyJHTPFYQTEIZOQJ-UHFFFAOYSA-N
XLogP3.46
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.18
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(2,5-dichlorophenyl)sulfanyl-1-methylpyrazol-4-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

5-chloro-2-(2,5-dichlorophenyl)sulfanylaniline
CID 29298573
3-(3-chloro-4-fluorophenyl)-1-methylpyrazol-4-amine
CID 83217060
2-(2,5-dichlorophenyl)sulfanyl-5-iodoaniline
CID 66082358
3-(2,4-dichlorophenoxy)-1-methylpyrazol-4-amine;hydrochloride
CID 102565571
6-(2,5-dichlorophenyl)sulfanyl-5-methyl-2-propylpyrimidin-4-amine
CID 80989994
5-amino-6-(2,5-dichlorophenyl)sulfanylpyridine-3-carbonitrile
CID 103470786
3-chloro-5-(2,4-dichlorophenyl)sulfanyl-1-methylpyrazol-4-amine
CID 22073365
5-chloro-2-(1-methylpyrazol-4-yl)sulfanylaniline
CID 61384655
6-(2,5-dichlorophenyl)sulfanyl-4-methylpyridin-3-amine
CID 79176848
5-(2,5-dichlorophenyl)sulfanyl-1-ethyl-3-methylpyrazol-4-amine
CID 66010943
2-cyclopropyl-6-(2,5-dichlorophenyl)sulfanyl-5-methylpyrimidin-4-amine
CID 80990216
5-bromo-4-(2,5-dichlorophenyl)sulfanylpyrimidin-2-amine
CID 80884851

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dichlorophenyl)sulfanyl-1-methylpyrazol-4-amine?
The IUPAC name of 3-(2,5-dichlorophenyl)sulfanyl-1-methylpyrazol-4-amine (CID 103079526) is 3-(2,5-dichlorophenyl)sulfanyl-1-methylpyrazol-4-amine.
What is the SMILES notation for 3-(2,5-dichlorophenyl)sulfanyl-1-methylpyrazol-4-amine?
The canonical SMILES for 3-(2,5-dichlorophenyl)sulfanyl-1-methylpyrazol-4-amine is Cn1cc(N)c(Sc2cc(Cl)ccc2Cl)n1.
What is the InChIKey of 3-(2,5-dichlorophenyl)sulfanyl-1-methylpyrazol-4-amine?
The InChIKey is JHTPFYQTEIZOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2N3S/c1-15-5-8(13)10(14-15)16-9-4-6(11)2-3-7(9)12/h2-5H,13H2,1H3.
What are the key properties of 3-(2,5-dichlorophenyl)sulfanyl-1-methylpyrazol-4-amine?
3-(2,5-dichlorophenyl)sulfanyl-1-methylpyrazol-4-amine has a molecular weight of 274.18 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dichlorophenyl)sulfanyl-1-methylpyrazol-4-amine is sourced from PubChem (CID 103079526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).