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

C7H15ClN4 — CID 154857210

IUPAC5-N-ethyl-1,3-dimethylpyrazole-4,5-diamine;hydrochloride
SMILESCCNc1c(N)c(C)nn1C.Cl
InChIInChI=1S/C7H14N4.ClH/c1-4-9-7-6(8)5(2)10-11(7)3;/h9H,4,8H2,1-3H3;1H
InChIKeyCMCMFVOJJALGFO-UHFFFAOYSA-N
MW190.68 g/mol
LogP1.16
Rot. Bonds2

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

5-N-ethyl-1,3-dimethylpyrazole-4,5-diamine;hydrochloride (PubChem CID 154857210) has the molecular formula C7H15ClN4 and a molecular weight of 190.68 g/mol. Its IUPAC name is 5-N-ethyl-1,3-dimethylpyrazole-4,5-diamine;hydrochloride.

Molecular Properties

Compound Name5-N-ethyl-1,3-dimethylpyrazole-4,5-diamine;hydrochloride
PubChem CID154857210
Molecular FormulaC7H15ClN4
Molecular Weight190.68 g/mol
Exact Mass190.10
IUPAC Name5-N-ethyl-1,3-dimethylpyrazole-4,5-diamine;hydrochloride
SMILESCCNc1c(N)c(C)nn1C.Cl
InChIInChI=1S/C7H14N4.ClH/c1-4-9-7-6(8)5(2)10-11(7)3;/h9H,4,8H2,1-3H3;1H
InChIKeyCMCMFVOJJALGFO-UHFFFAOYSA-N
XLogP1.16
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.68
LogP ≤ 51.16
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;hydrochloride?
The IUPAC name of 5-N-ethyl-1,3-dimethylpyrazole-4,5-diamine;hydrochloride (CID 154857210) is 5-N-ethyl-1,3-dimethylpyrazole-4,5-diamine;hydrochloride.
What is the SMILES notation for 5-N-ethyl-1,3-dimethylpyrazole-4,5-diamine;hydrochloride?
The canonical SMILES for 5-N-ethyl-1,3-dimethylpyrazole-4,5-diamine;hydrochloride is CCNc1c(N)c(C)nn1C.Cl.
What is the InChIKey of 5-N-ethyl-1,3-dimethylpyrazole-4,5-diamine;hydrochloride?
The InChIKey is CMCMFVOJJALGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4.ClH/c1-4-9-7-6(8)5(2)10-11(7)3;/h9H,4,8H2,1-3H3;1H.
What are the key properties of 5-N-ethyl-1,3-dimethylpyrazole-4,5-diamine;hydrochloride?
5-N-ethyl-1,3-dimethylpyrazole-4,5-diamine;hydrochloride has a molecular weight of 190.68 g/mol, XLogP of 1.16, 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;hydrochloride is sourced from PubChem (CID 154857210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).