5-N-ethyl-1,3-dimethylpyrazole-4,5-diamine

C7H14N4 — CID 43554024

IUPAC5-N-ethyl-1,3-dimethylpyrazole-4,5-diamine
SMILESCCNc1c(N)c(C)nn1C
InChIInChI=1S/C7H14N4/c1-4-9-7-6(8)5(2)10-11(7)3/h9H,4,8H2,1-3H3
InChIKeyGKERKLLAMVQMOK-UHFFFAOYSA-N
MW154.22 g/mol
LogP0.74
Rot. Bonds2

About 5-N-ethyl-1,3-dimethylpyrazole-4,5-diamine

5-N-ethyl-1,3-dimethylpyrazole-4,5-diamine (PubChem CID 43554024) has the molecular formula C7H14N4 and a molecular weight of 154.22 g/mol. Its IUPAC name is 5-N-ethyl-1,3-dimethylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-ethyl-1,3-dimethylpyrazole-4,5-diamine
PubChem CID43554024
Molecular FormulaC7H14N4
Molecular Weight154.22 g/mol
Exact Mass154.12
IUPAC Name5-N-ethyl-1,3-dimethylpyrazole-4,5-diamine
SMILESCCNc1c(N)c(C)nn1C
InChIInChI=1S/C7H14N4/c1-4-9-7-6(8)5(2)10-11(7)3/h9H,4,8H2,1-3H3
InChIKeyGKERKLLAMVQMOK-UHFFFAOYSA-N
XLogP0.74
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.22
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-N-ethyl-1,3-dimethylpyrazole-4,5-diamine?
The IUPAC name of 5-N-ethyl-1,3-dimethylpyrazole-4,5-diamine (CID 43554024) is 5-N-ethyl-1,3-dimethylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N-ethyl-1,3-dimethylpyrazole-4,5-diamine?
The canonical SMILES for 5-N-ethyl-1,3-dimethylpyrazole-4,5-diamine is CCNc1c(N)c(C)nn1C.
What is the InChIKey of 5-N-ethyl-1,3-dimethylpyrazole-4,5-diamine?
The InChIKey is GKERKLLAMVQMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4/c1-4-9-7-6(8)5(2)10-11(7)3/h9H,4,8H2,1-3H3.
What are the key properties of 5-N-ethyl-1,3-dimethylpyrazole-4,5-diamine?
5-N-ethyl-1,3-dimethylpyrazole-4,5-diamine has a molecular weight of 154.22 g/mol, XLogP of 0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-ethyl-1,3-dimethylpyrazole-4,5-diamine is sourced from PubChem (CID 43554024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).