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

C10H17N3S — CID 63114516

IUPAC5-cyclopentylsulfanyl-1,3-dimethylpyrazol-4-amine
SMILESCc1nn(C)c(SC2CCCC2)c1N
InChIInChI=1S/C10H17N3S/c1-7-9(11)10(13(2)12-7)14-8-5-3-4-6-8/h8H,3-6,11H2,1-2H3
InChIKeyCDGAPABEVKAKOU-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.35
Rot. Bonds2

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

5-cyclopentylsulfanyl-1,3-dimethylpyrazol-4-amine (PubChem CID 63114516) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is 5-cyclopentylsulfanyl-1,3-dimethylpyrazol-4-amine.

Molecular Properties

Compound Name5-cyclopentylsulfanyl-1,3-dimethylpyrazol-4-amine
PubChem CID63114516
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC Name5-cyclopentylsulfanyl-1,3-dimethylpyrazol-4-amine
SMILESCc1nn(C)c(SC2CCCC2)c1N
InChIInChI=1S/C10H17N3S/c1-7-9(11)10(13(2)12-7)14-8-5-3-4-6-8/h8H,3-6,11H2,1-2H3
InChIKeyCDGAPABEVKAKOU-UHFFFAOYSA-N
XLogP2.35
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopentylsulfanyl-1,3-dimethylpyrazol-4-amine?
The IUPAC name of 5-cyclopentylsulfanyl-1,3-dimethylpyrazol-4-amine (CID 63114516) is 5-cyclopentylsulfanyl-1,3-dimethylpyrazol-4-amine.
What is the SMILES notation for 5-cyclopentylsulfanyl-1,3-dimethylpyrazol-4-amine?
The canonical SMILES for 5-cyclopentylsulfanyl-1,3-dimethylpyrazol-4-amine is Cc1nn(C)c(SC2CCCC2)c1N.
What is the InChIKey of 5-cyclopentylsulfanyl-1,3-dimethylpyrazol-4-amine?
The InChIKey is CDGAPABEVKAKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-7-9(11)10(13(2)12-7)14-8-5-3-4-6-8/h8H,3-6,11H2,1-2H3.
What are the key properties of 5-cyclopentylsulfanyl-1,3-dimethylpyrazol-4-amine?
5-cyclopentylsulfanyl-1,3-dimethylpyrazol-4-amine has a molecular weight of 211.33 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentylsulfanyl-1,3-dimethylpyrazol-4-amine is sourced from PubChem (CID 63114516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).