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

C10H15N5S — CID 63316041

IUPAC1-[2-(2,5-dimethylpyrazol-3-yl)sulfanylethyl]pyrazol-3-amine
SMILESCc1cc(SCCn2ccc(N)n2)n(C)n1
InChIInChI=1S/C10H15N5S/c1-8-7-10(14(2)12-8)16-6-5-15-4-3-9(11)13-15/h3-4,7H,5-6H2,1-2H3,(H2,11,13)
InChIKeyKCBHIUUMJPFNBT-UHFFFAOYSA-N
MW237.33 g/mol
LogP1.30
Rot. Bonds4

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

1-[2-(2,5-dimethylpyrazol-3-yl)sulfanylethyl]pyrazol-3-amine (PubChem CID 63316041) has the molecular formula C10H15N5S and a molecular weight of 237.33 g/mol. Its IUPAC name is 1-[2-(2,5-dimethylpyrazol-3-yl)sulfanylethyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-[2-(2,5-dimethylpyrazol-3-yl)sulfanylethyl]pyrazol-3-amine
PubChem CID63316041
Molecular FormulaC10H15N5S
Molecular Weight237.33 g/mol
Exact Mass237.10
IUPAC Name1-[2-(2,5-dimethylpyrazol-3-yl)sulfanylethyl]pyrazol-3-amine
SMILESCc1cc(SCCn2ccc(N)n2)n(C)n1
InChIInChI=1S/C10H15N5S/c1-8-7-10(14(2)12-8)16-6-5-15-4-3-9(11)13-15/h3-4,7H,5-6H2,1-2H3,(H2,11,13)
InChIKeyKCBHIUUMJPFNBT-UHFFFAOYSA-N
XLogP1.30
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[2-(2,5-dimethylpyrazol-3-yl)sulfanylethyl]pyrazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-dimethylpyrazol-3-yl)sulfanylethyl]pyrazol-3-amine?
The IUPAC name of 1-[2-(2,5-dimethylpyrazol-3-yl)sulfanylethyl]pyrazol-3-amine (CID 63316041) is 1-[2-(2,5-dimethylpyrazol-3-yl)sulfanylethyl]pyrazol-3-amine.
What is the SMILES notation for 1-[2-(2,5-dimethylpyrazol-3-yl)sulfanylethyl]pyrazol-3-amine?
The canonical SMILES for 1-[2-(2,5-dimethylpyrazol-3-yl)sulfanylethyl]pyrazol-3-amine is Cc1cc(SCCn2ccc(N)n2)n(C)n1.
What is the InChIKey of 1-[2-(2,5-dimethylpyrazol-3-yl)sulfanylethyl]pyrazol-3-amine?
The InChIKey is KCBHIUUMJPFNBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5S/c1-8-7-10(14(2)12-8)16-6-5-15-4-3-9(11)13-15/h3-4,7H,5-6H2,1-2H3,(H2,11,13).
What are the key properties of 1-[2-(2,5-dimethylpyrazol-3-yl)sulfanylethyl]pyrazol-3-amine?
1-[2-(2,5-dimethylpyrazol-3-yl)sulfanylethyl]pyrazol-3-amine has a molecular weight of 237.33 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-dimethylpyrazol-3-yl)sulfanylethyl]pyrazol-3-amine is sourced from PubChem (CID 63316041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).