1-ethyl-3-N-propylpyrazole-3,4-diamine;dihydrochloride

C8H18Cl2N4 — CID 102565631

IUPAC1-ethyl-3-N-propylpyrazole-3,4-diamine;dihydrochloride
SMILESCCCNc1nn(CC)cc1N.Cl.Cl
InChIInChI=1S/C8H16N4.2ClH/c1-3-5-10-8-7(9)6-12(4-2)11-8;;/h6H,3-5,9H2,1-2H3,(H,10,11);2*1H
InChIKeyRJYNXMCRZMOJEM-UHFFFAOYSA-N
MW241.17 g/mol
LogP2.15
Rot. Bonds4

About 1-ethyl-3-N-propylpyrazole-3,4-diamine;dihydrochloride

1-ethyl-3-N-propylpyrazole-3,4-diamine;dihydrochloride (PubChem CID 102565631) has the molecular formula C8H18Cl2N4 and a molecular weight of 241.17 g/mol. Its IUPAC name is 1-ethyl-3-N-propylpyrazole-3,4-diamine;dihydrochloride.

Molecular Properties

Compound Name1-ethyl-3-N-propylpyrazole-3,4-diamine;dihydrochloride
PubChem CID102565631
Molecular FormulaC8H18Cl2N4
Molecular Weight241.17 g/mol
Exact Mass240.09
IUPAC Name1-ethyl-3-N-propylpyrazole-3,4-diamine;dihydrochloride
SMILESCCCNc1nn(CC)cc1N.Cl.Cl
InChIInChI=1S/C8H16N4.2ClH/c1-3-5-10-8-7(9)6-12(4-2)11-8;;/h6H,3-5,9H2,1-2H3,(H,10,11);2*1H
InChIKeyRJYNXMCRZMOJEM-UHFFFAOYSA-N
XLogP2.15
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.17
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-ethyl-3-N-propylpyrazole-3,4-diamine;dihydrochloride 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-ethyl-3-N-propylpyrazole-3,4-diamine;dihydrochloride?
The IUPAC name of 1-ethyl-3-N-propylpyrazole-3,4-diamine;dihydrochloride (CID 102565631) is 1-ethyl-3-N-propylpyrazole-3,4-diamine;dihydrochloride.
What is the SMILES notation for 1-ethyl-3-N-propylpyrazole-3,4-diamine;dihydrochloride?
The canonical SMILES for 1-ethyl-3-N-propylpyrazole-3,4-diamine;dihydrochloride is CCCNc1nn(CC)cc1N.Cl.Cl.
What is the InChIKey of 1-ethyl-3-N-propylpyrazole-3,4-diamine;dihydrochloride?
The InChIKey is RJYNXMCRZMOJEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4.2ClH/c1-3-5-10-8-7(9)6-12(4-2)11-8;;/h6H,3-5,9H2,1-2H3,(H,10,11);2*1H.
What are the key properties of 1-ethyl-3-N-propylpyrazole-3,4-diamine;dihydrochloride?
1-ethyl-3-N-propylpyrazole-3,4-diamine;dihydrochloride has a molecular weight of 241.17 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-N-propylpyrazole-3,4-diamine;dihydrochloride is sourced from PubChem (CID 102565631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).