1,3-dimethyl-5-N-(3-methylsulfanylpropyl)pyrazole-4,5-diamine

C9H18N4S — CID 63982907

IUPAC1,3-dimethyl-5-N-(3-methylsulfanylpropyl)pyrazole-4,5-diamine
SMILESCSCCCNc1c(N)c(C)nn1C
InChIInChI=1S/C9H18N4S/c1-7-8(10)9(13(2)12-7)11-5-4-6-14-3/h11H,4-6,10H2,1-3H3
InChIKeyZEVDORAQMQHISS-UHFFFAOYSA-N
MW214.34 g/mol
LogP1.48
Rot. Bonds5

About 1,3-dimethyl-5-N-(3-methylsulfanylpropyl)pyrazole-4,5-diamine

1,3-dimethyl-5-N-(3-methylsulfanylpropyl)pyrazole-4,5-diamine (PubChem CID 63982907) has the molecular formula C9H18N4S and a molecular weight of 214.34 g/mol. Its IUPAC name is 1,3-dimethyl-5-N-(3-methylsulfanylpropyl)pyrazole-4,5-diamine.

Molecular Properties

Compound Name1,3-dimethyl-5-N-(3-methylsulfanylpropyl)pyrazole-4,5-diamine
PubChem CID63982907
Molecular FormulaC9H18N4S
Molecular Weight214.34 g/mol
Exact Mass214.13
IUPAC Name1,3-dimethyl-5-N-(3-methylsulfanylpropyl)pyrazole-4,5-diamine
SMILESCSCCCNc1c(N)c(C)nn1C
InChIInChI=1S/C9H18N4S/c1-7-8(10)9(13(2)12-7)11-5-4-6-14-3/h11H,4-6,10H2,1-3H3
InChIKeyZEVDORAQMQHISS-UHFFFAOYSA-N
XLogP1.48
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.34
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1,3-dimethyl-5-N-(3-methylsulfanylpropyl)pyrazole-4,5-diamine 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 1,3-dimethyl-5-N-(3-methylsulfanylpropyl)pyrazole-4,5-diamine?
The IUPAC name of 1,3-dimethyl-5-N-(3-methylsulfanylpropyl)pyrazole-4,5-diamine (CID 63982907) is 1,3-dimethyl-5-N-(3-methylsulfanylpropyl)pyrazole-4,5-diamine.
What is the SMILES notation for 1,3-dimethyl-5-N-(3-methylsulfanylpropyl)pyrazole-4,5-diamine?
The canonical SMILES for 1,3-dimethyl-5-N-(3-methylsulfanylpropyl)pyrazole-4,5-diamine is CSCCCNc1c(N)c(C)nn1C.
What is the InChIKey of 1,3-dimethyl-5-N-(3-methylsulfanylpropyl)pyrazole-4,5-diamine?
The InChIKey is ZEVDORAQMQHISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4S/c1-7-8(10)9(13(2)12-7)11-5-4-6-14-3/h11H,4-6,10H2,1-3H3.
What are the key properties of 1,3-dimethyl-5-N-(3-methylsulfanylpropyl)pyrazole-4,5-diamine?
1,3-dimethyl-5-N-(3-methylsulfanylpropyl)pyrazole-4,5-diamine has a molecular weight of 214.34 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-N-(3-methylsulfanylpropyl)pyrazole-4,5-diamine is sourced from PubChem (CID 63982907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).