1-[3-(2,5-dimethylpyrazol-3-yl)sulfanylpropyl]pyrazol-3-amine

C11H17N5S — CID 63310857

IUPAC1-[3-(2,5-dimethylpyrazol-3-yl)sulfanylpropyl]pyrazol-3-amine
SMILESCc1cc(SCCCn2ccc(N)n2)n(C)n1
InChIInChI=1S/C11H17N5S/c1-9-8-11(15(2)13-9)17-7-3-5-16-6-4-10(12)14-16/h4,6,8H,3,5,7H2,1-2H3,(H2,12,14)
InChIKeySHDBWLFXXZKEAJ-UHFFFAOYSA-N
MW251.36 g/mol
LogP1.69
Rot. Bonds5

About 1-[3-(2,5-dimethylpyrazol-3-yl)sulfanylpropyl]pyrazol-3-amine

1-[3-(2,5-dimethylpyrazol-3-yl)sulfanylpropyl]pyrazol-3-amine (PubChem CID 63310857) has the molecular formula C11H17N5S and a molecular weight of 251.36 g/mol. Its IUPAC name is 1-[3-(2,5-dimethylpyrazol-3-yl)sulfanylpropyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-[3-(2,5-dimethylpyrazol-3-yl)sulfanylpropyl]pyrazol-3-amine
PubChem CID63310857
Molecular FormulaC11H17N5S
Molecular Weight251.36 g/mol
Exact Mass251.12
IUPAC Name1-[3-(2,5-dimethylpyrazol-3-yl)sulfanylpropyl]pyrazol-3-amine
SMILESCc1cc(SCCCn2ccc(N)n2)n(C)n1
InChIInChI=1S/C11H17N5S/c1-9-8-11(15(2)13-9)17-7-3-5-16-6-4-10(12)14-16/h4,6,8H,3,5,7H2,1-2H3,(H2,12,14)
InChIKeySHDBWLFXXZKEAJ-UHFFFAOYSA-N
XLogP1.69
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.36
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,5-dimethylpyrazol-3-yl)sulfanylpropyl]pyrazol-3-amine?
The IUPAC name of 1-[3-(2,5-dimethylpyrazol-3-yl)sulfanylpropyl]pyrazol-3-amine (CID 63310857) is 1-[3-(2,5-dimethylpyrazol-3-yl)sulfanylpropyl]pyrazol-3-amine.
What is the SMILES notation for 1-[3-(2,5-dimethylpyrazol-3-yl)sulfanylpropyl]pyrazol-3-amine?
The canonical SMILES for 1-[3-(2,5-dimethylpyrazol-3-yl)sulfanylpropyl]pyrazol-3-amine is Cc1cc(SCCCn2ccc(N)n2)n(C)n1.
What is the InChIKey of 1-[3-(2,5-dimethylpyrazol-3-yl)sulfanylpropyl]pyrazol-3-amine?
The InChIKey is SHDBWLFXXZKEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5S/c1-9-8-11(15(2)13-9)17-7-3-5-16-6-4-10(12)14-16/h4,6,8H,3,5,7H2,1-2H3,(H2,12,14).
What are the key properties of 1-[3-(2,5-dimethylpyrazol-3-yl)sulfanylpropyl]pyrazol-3-amine?
1-[3-(2,5-dimethylpyrazol-3-yl)sulfanylpropyl]pyrazol-3-amine has a molecular weight of 251.36 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,5-dimethylpyrazol-3-yl)sulfanylpropyl]pyrazol-3-amine is sourced from PubChem (CID 63310857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).