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

C10H8Cl3N3S — CID 22073365

IUPAC3-chloro-5-(2,4-dichlorophenyl)sulfanyl-1-methylpyrazol-4-amine
SMILESCn1nc(Cl)c(N)c1Sc1ccc(Cl)cc1Cl
InChIInChI=1S/C10H8Cl3N3S/c1-16-10(8(14)9(13)15-16)17-7-3-2-5(11)4-6(7)12/h2-4H,14H2,1H3
InChIKeyRFBUQGQWYKVGCL-UHFFFAOYSA-N
MW308.62 g/mol
LogP4.11
Rot. Bonds2

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

3-chloro-5-(2,4-dichlorophenyl)sulfanyl-1-methylpyrazol-4-amine (PubChem CID 22073365) has the molecular formula C10H8Cl3N3S and a molecular weight of 308.62 g/mol. Its IUPAC name is 3-chloro-5-(2,4-dichlorophenyl)sulfanyl-1-methylpyrazol-4-amine.

Molecular Properties

Compound Name3-chloro-5-(2,4-dichlorophenyl)sulfanyl-1-methylpyrazol-4-amine
PubChem CID22073365
Molecular FormulaC10H8Cl3N3S
Molecular Weight308.62 g/mol
Exact Mass306.95
IUPAC Name3-chloro-5-(2,4-dichlorophenyl)sulfanyl-1-methylpyrazol-4-amine
SMILESCn1nc(Cl)c(N)c1Sc1ccc(Cl)cc1Cl
InChIInChI=1S/C10H8Cl3N3S/c1-16-10(8(14)9(13)15-16)17-7-3-2-5(11)4-6(7)12/h2-4H,14H2,1H3
InChIKeyRFBUQGQWYKVGCL-UHFFFAOYSA-N
XLogP4.11
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.62
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(2,4-dichlorophenyl)sulfanyl-1-methylpyrazol-4-amine?
The IUPAC name of 3-chloro-5-(2,4-dichlorophenyl)sulfanyl-1-methylpyrazol-4-amine (CID 22073365) is 3-chloro-5-(2,4-dichlorophenyl)sulfanyl-1-methylpyrazol-4-amine.
What is the SMILES notation for 3-chloro-5-(2,4-dichlorophenyl)sulfanyl-1-methylpyrazol-4-amine?
The canonical SMILES for 3-chloro-5-(2,4-dichlorophenyl)sulfanyl-1-methylpyrazol-4-amine is Cn1nc(Cl)c(N)c1Sc1ccc(Cl)cc1Cl.
What is the InChIKey of 3-chloro-5-(2,4-dichlorophenyl)sulfanyl-1-methylpyrazol-4-amine?
The InChIKey is RFBUQGQWYKVGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl3N3S/c1-16-10(8(14)9(13)15-16)17-7-3-2-5(11)4-6(7)12/h2-4H,14H2,1H3.
What are the key properties of 3-chloro-5-(2,4-dichlorophenyl)sulfanyl-1-methylpyrazol-4-amine?
3-chloro-5-(2,4-dichlorophenyl)sulfanyl-1-methylpyrazol-4-amine has a molecular weight of 308.62 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(2,4-dichlorophenyl)sulfanyl-1-methylpyrazol-4-amine is sourced from PubChem (CID 22073365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).