1-ethyl-4-(1H-imidazol-5-yl)pyrazole;hydrochloride

C8H11ClN4 — CID 67500295

IUPAC1-ethyl-4-(1H-imidazol-5-yl)pyrazole;hydrochloride
SMILESCCn1cc(-c2cnc[nH]2)cn1.Cl
InChIInChI=1S/C8H10N4.ClH/c1-2-12-5-7(3-11-12)8-4-9-6-10-8;/h3-6H,2H2,1H3,(H,9,10);1H
InChIKeyHWGLIUZXUIHGAH-UHFFFAOYSA-N
MW198.66 g/mol
LogP1.71
Rot. Bonds2

About 1-ethyl-4-(1H-imidazol-5-yl)pyrazole;hydrochloride

1-ethyl-4-(1H-imidazol-5-yl)pyrazole;hydrochloride (PubChem CID 67500295) has the molecular formula C8H11ClN4 and a molecular weight of 198.66 g/mol. Its IUPAC name is 1-ethyl-4-(1H-imidazol-5-yl)pyrazole;hydrochloride.

Molecular Properties

Compound Name1-ethyl-4-(1H-imidazol-5-yl)pyrazole;hydrochloride
PubChem CID67500295
Molecular FormulaC8H11ClN4
Molecular Weight198.66 g/mol
Exact Mass198.07
IUPAC Name1-ethyl-4-(1H-imidazol-5-yl)pyrazole;hydrochloride
SMILESCCn1cc(-c2cnc[nH]2)cn1.Cl
InChIInChI=1S/C8H10N4.ClH/c1-2-12-5-7(3-11-12)8-4-9-6-10-8;/h3-6H,2H2,1H3,(H,9,10);1H
InChIKeyHWGLIUZXUIHGAH-UHFFFAOYSA-N
XLogP1.71
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.66
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(1H-imidazol-5-yl)pyrazole;hydrochloride?
The IUPAC name of 1-ethyl-4-(1H-imidazol-5-yl)pyrazole;hydrochloride (CID 67500295) is 1-ethyl-4-(1H-imidazol-5-yl)pyrazole;hydrochloride.
What is the SMILES notation for 1-ethyl-4-(1H-imidazol-5-yl)pyrazole;hydrochloride?
The canonical SMILES for 1-ethyl-4-(1H-imidazol-5-yl)pyrazole;hydrochloride is CCn1cc(-c2cnc[nH]2)cn1.Cl.
What is the InChIKey of 1-ethyl-4-(1H-imidazol-5-yl)pyrazole;hydrochloride?
The InChIKey is HWGLIUZXUIHGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4.ClH/c1-2-12-5-7(3-11-12)8-4-9-6-10-8;/h3-6H,2H2,1H3,(H,9,10);1H.
What are the key properties of 1-ethyl-4-(1H-imidazol-5-yl)pyrazole;hydrochloride?
1-ethyl-4-(1H-imidazol-5-yl)pyrazole;hydrochloride has a molecular weight of 198.66 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(1H-imidazol-5-yl)pyrazole;hydrochloride is sourced from PubChem (CID 67500295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).