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

C12H13Cl2N3S — CID 66010943

IUPAC5-(2,5-dichlorophenyl)sulfanyl-1-ethyl-3-methylpyrazol-4-amine
SMILESCCn1nc(C)c(N)c1Sc1cc(Cl)ccc1Cl
InChIInChI=1S/C12H13Cl2N3S/c1-3-17-12(11(15)7(2)16-17)18-10-6-8(13)4-5-9(10)14/h4-6H,3,15H2,1-2H3
InChIKeySHZDLWAAULDDML-UHFFFAOYSA-N
MW302.23 g/mol
LogP4.25
Rot. Bonds3

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

5-(2,5-dichlorophenyl)sulfanyl-1-ethyl-3-methylpyrazol-4-amine (PubChem CID 66010943) has the molecular formula C12H13Cl2N3S and a molecular weight of 302.23 g/mol. Its IUPAC name is 5-(2,5-dichlorophenyl)sulfanyl-1-ethyl-3-methylpyrazol-4-amine.

Molecular Properties

Compound Name5-(2,5-dichlorophenyl)sulfanyl-1-ethyl-3-methylpyrazol-4-amine
PubChem CID66010943
Molecular FormulaC12H13Cl2N3S
Molecular Weight302.23 g/mol
Exact Mass301.02
IUPAC Name5-(2,5-dichlorophenyl)sulfanyl-1-ethyl-3-methylpyrazol-4-amine
SMILESCCn1nc(C)c(N)c1Sc1cc(Cl)ccc1Cl
InChIInChI=1S/C12H13Cl2N3S/c1-3-17-12(11(15)7(2)16-17)18-10-6-8(13)4-5-9(10)14/h4-6H,3,15H2,1-2H3
InChIKeySHZDLWAAULDDML-UHFFFAOYSA-N
XLogP4.25
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.23
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dichlorophenyl)sulfanyl-1-ethyl-3-methylpyrazol-4-amine?
The IUPAC name of 5-(2,5-dichlorophenyl)sulfanyl-1-ethyl-3-methylpyrazol-4-amine (CID 66010943) is 5-(2,5-dichlorophenyl)sulfanyl-1-ethyl-3-methylpyrazol-4-amine.
What is the SMILES notation for 5-(2,5-dichlorophenyl)sulfanyl-1-ethyl-3-methylpyrazol-4-amine?
The canonical SMILES for 5-(2,5-dichlorophenyl)sulfanyl-1-ethyl-3-methylpyrazol-4-amine is CCn1nc(C)c(N)c1Sc1cc(Cl)ccc1Cl.
What is the InChIKey of 5-(2,5-dichlorophenyl)sulfanyl-1-ethyl-3-methylpyrazol-4-amine?
The InChIKey is SHZDLWAAULDDML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2N3S/c1-3-17-12(11(15)7(2)16-17)18-10-6-8(13)4-5-9(10)14/h4-6H,3,15H2,1-2H3.
What are the key properties of 5-(2,5-dichlorophenyl)sulfanyl-1-ethyl-3-methylpyrazol-4-amine?
5-(2,5-dichlorophenyl)sulfanyl-1-ethyl-3-methylpyrazol-4-amine has a molecular weight of 302.23 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dichlorophenyl)sulfanyl-1-ethyl-3-methylpyrazol-4-amine is sourced from PubChem (CID 66010943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).