5-cyclohexylsulfanyl-1,3-dimethylpyrazol-4-amine

C11H19N3S — CID 60885741

IUPAC5-cyclohexylsulfanyl-1,3-dimethylpyrazol-4-amine
SMILESCc1nn(C)c(SC2CCCCC2)c1N
InChIInChI=1S/C11H19N3S/c1-8-10(12)11(14(2)13-8)15-9-6-4-3-5-7-9/h9H,3-7,12H2,1-2H3
InChIKeyZMSMKFWGLNCWRJ-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.74
Rot. Bonds2

About 5-cyclohexylsulfanyl-1,3-dimethylpyrazol-4-amine

5-cyclohexylsulfanyl-1,3-dimethylpyrazol-4-amine (PubChem CID 60885741) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is 5-cyclohexylsulfanyl-1,3-dimethylpyrazol-4-amine.

Molecular Properties

Compound Name5-cyclohexylsulfanyl-1,3-dimethylpyrazol-4-amine
PubChem CID60885741
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Name5-cyclohexylsulfanyl-1,3-dimethylpyrazol-4-amine
SMILESCc1nn(C)c(SC2CCCCC2)c1N
InChIInChI=1S/C11H19N3S/c1-8-10(12)11(14(2)13-8)15-9-6-4-3-5-7-9/h9H,3-7,12H2,1-2H3
InChIKeyZMSMKFWGLNCWRJ-UHFFFAOYSA-N
XLogP2.74
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexylsulfanyl-1,3-dimethylpyrazol-4-amine?
The IUPAC name of 5-cyclohexylsulfanyl-1,3-dimethylpyrazol-4-amine (CID 60885741) is 5-cyclohexylsulfanyl-1,3-dimethylpyrazol-4-amine.
What is the SMILES notation for 5-cyclohexylsulfanyl-1,3-dimethylpyrazol-4-amine?
The canonical SMILES for 5-cyclohexylsulfanyl-1,3-dimethylpyrazol-4-amine is Cc1nn(C)c(SC2CCCCC2)c1N.
What is the InChIKey of 5-cyclohexylsulfanyl-1,3-dimethylpyrazol-4-amine?
The InChIKey is ZMSMKFWGLNCWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-8-10(12)11(14(2)13-8)15-9-6-4-3-5-7-9/h9H,3-7,12H2,1-2H3.
What are the key properties of 5-cyclohexylsulfanyl-1,3-dimethylpyrazol-4-amine?
5-cyclohexylsulfanyl-1,3-dimethylpyrazol-4-amine has a molecular weight of 225.36 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexylsulfanyl-1,3-dimethylpyrazol-4-amine is sourced from PubChem (CID 60885741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).