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

C8H16N4 — CID 23389110

IUPAC4-N-ethyl-5-N,1,3-trimethylpyrazole-4,5-diamine
SMILESCCNc1c(C)nn(C)c1NC
InChIInChI=1S/C8H16N4/c1-5-10-7-6(2)11-12(4)8(7)9-3/h9-10H,5H2,1-4H3
InChIKeyNUFHOVCUYBVFOS-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.20
Rot. Bonds3

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

4-N-ethyl-5-N,1,3-trimethylpyrazole-4,5-diamine (PubChem CID 23389110) has the molecular formula C8H16N4 and a molecular weight of 168.24 g/mol. Its IUPAC name is 4-N-ethyl-5-N,1,3-trimethylpyrazole-4,5-diamine.

Molecular Properties

Compound Name4-N-ethyl-5-N,1,3-trimethylpyrazole-4,5-diamine
PubChem CID23389110
Molecular FormulaC8H16N4
Molecular Weight168.24 g/mol
Exact Mass168.14
IUPAC Name4-N-ethyl-5-N,1,3-trimethylpyrazole-4,5-diamine
SMILESCCNc1c(C)nn(C)c1NC
InChIInChI=1S/C8H16N4/c1-5-10-7-6(2)11-12(4)8(7)9-3/h9-10H,5H2,1-4H3
InChIKeyNUFHOVCUYBVFOS-UHFFFAOYSA-N
XLogP1.20
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-5-N,1,3-trimethylpyrazole-4,5-diamine?
The IUPAC name of 4-N-ethyl-5-N,1,3-trimethylpyrazole-4,5-diamine (CID 23389110) is 4-N-ethyl-5-N,1,3-trimethylpyrazole-4,5-diamine.
What is the SMILES notation for 4-N-ethyl-5-N,1,3-trimethylpyrazole-4,5-diamine?
The canonical SMILES for 4-N-ethyl-5-N,1,3-trimethylpyrazole-4,5-diamine is CCNc1c(C)nn(C)c1NC.
What is the InChIKey of 4-N-ethyl-5-N,1,3-trimethylpyrazole-4,5-diamine?
The InChIKey is NUFHOVCUYBVFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4/c1-5-10-7-6(2)11-12(4)8(7)9-3/h9-10H,5H2,1-4H3.
What are the key properties of 4-N-ethyl-5-N,1,3-trimethylpyrazole-4,5-diamine?
4-N-ethyl-5-N,1,3-trimethylpyrazole-4,5-diamine has a molecular weight of 168.24 g/mol, XLogP of 1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-5-N,1,3-trimethylpyrazole-4,5-diamine is sourced from PubChem (CID 23389110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).