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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Related Compounds

1,5-Dimethyl-1H-pyrazole-3,4-diamine
CID 544940
N1-(1,3-dimethyl-1H-pyrazol-5-yl)ethane-1,2-diamine dihydrochloride
CID 91647558
2-methyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-3-amine dihydrochloride
CID 146155195
N5-ethyl-1,3-dimethyl-1H-pyrazole-4,5-diamine hydrochloride
CID 154857210
1-Methyl-5-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)pyrazol-4-amine
CID 71176960
N-(2,5-dimethyl-4-nitro-2H-pyrazol-3-yl)-N',N'-dimethylpropane-1,3-diamine
CID 2807344
1,3-dimethyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine
CID 43554056
1,3-dimethyl-4-nitro-N-(2,2,2-trifluoroethyl)pyrazol-5-amine
CID 43554241
1,3-dimethyl-5-N-propyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine
CID 55011252
5-N-cyclopropyl-1,3-dimethyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine
CID 55011492
1,3-dimethyl-5-N-propan-2-yl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine
CID 55011693
N-ethyl-1,3-dimethyl-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]pyrazol-5-amine
CID 55046506

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).