4-N,4-N-diethyl-1H-pyrazole-4,5-diamine

C7H14N4 — CID 82236212

IUPAC4-N,4-N-diethyl-1H-pyrazole-4,5-diamine
SMILESCCN(CC)c1cn[nH]c1N
InChIInChI=1S/C7H14N4/c1-3-11(4-2)6-5-9-10-7(6)8/h5H,3-4H2,1-2H3,(H3,8,9,10)
InChIKeyIADQXNPWKZITPB-UHFFFAOYSA-N
MW154.22 g/mol
LogP0.84
Rot. Bonds3

About 4-N,4-N-diethyl-1H-pyrazole-4,5-diamine

4-N,4-N-diethyl-1H-pyrazole-4,5-diamine (PubChem CID 82236212) has the molecular formula C7H14N4 and a molecular weight of 154.22 g/mol. Its IUPAC name is 4-N,4-N-diethyl-1H-pyrazole-4,5-diamine.

Molecular Properties

Compound Name4-N,4-N-diethyl-1H-pyrazole-4,5-diamine
PubChem CID82236212
Molecular FormulaC7H14N4
Molecular Weight154.22 g/mol
Exact Mass154.12
IUPAC Name4-N,4-N-diethyl-1H-pyrazole-4,5-diamine
SMILESCCN(CC)c1cn[nH]c1N
InChIInChI=1S/C7H14N4/c1-3-11(4-2)6-5-9-10-7(6)8/h5H,3-4H2,1-2H3,(H3,8,9,10)
InChIKeyIADQXNPWKZITPB-UHFFFAOYSA-N
XLogP0.84
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.22
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-diethyl-1H-pyrazole-4,5-diamine?
The IUPAC name of 4-N,4-N-diethyl-1H-pyrazole-4,5-diamine (CID 82236212) is 4-N,4-N-diethyl-1H-pyrazole-4,5-diamine.
What is the SMILES notation for 4-N,4-N-diethyl-1H-pyrazole-4,5-diamine?
The canonical SMILES for 4-N,4-N-diethyl-1H-pyrazole-4,5-diamine is CCN(CC)c1cn[nH]c1N.
What is the InChIKey of 4-N,4-N-diethyl-1H-pyrazole-4,5-diamine?
The InChIKey is IADQXNPWKZITPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4/c1-3-11(4-2)6-5-9-10-7(6)8/h5H,3-4H2,1-2H3,(H3,8,9,10).
What are the key properties of 4-N,4-N-diethyl-1H-pyrazole-4,5-diamine?
4-N,4-N-diethyl-1H-pyrazole-4,5-diamine has a molecular weight of 154.22 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-diethyl-1H-pyrazole-4,5-diamine is sourced from PubChem (CID 82236212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).