5-(2-ethylimidazol-1-yl)-1,3-dimethylpyrazole-4-carbonitrile

C11H13N5 — CID 63753188

IUPAC5-(2-ethylimidazol-1-yl)-1,3-dimethylpyrazole-4-carbonitrile
SMILESCCc1nccn1-c1c(C#N)c(C)nn1C
InChIInChI=1S/C11H13N5/c1-4-10-13-5-6-16(10)11-9(7-12)8(2)14-15(11)3/h5-6H,4H2,1-3H3
InChIKeyUQINZMRFZPINAZ-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.35
Rot. Bonds2

About 5-(2-ethylimidazol-1-yl)-1,3-dimethylpyrazole-4-carbonitrile

5-(2-ethylimidazol-1-yl)-1,3-dimethylpyrazole-4-carbonitrile (PubChem CID 63753188) has the molecular formula C11H13N5 and a molecular weight of 215.26 g/mol. Its IUPAC name is 5-(2-ethylimidazol-1-yl)-1,3-dimethylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-(2-ethylimidazol-1-yl)-1,3-dimethylpyrazole-4-carbonitrile
PubChem CID63753188
Molecular FormulaC11H13N5
Molecular Weight215.26 g/mol
Exact Mass215.12
IUPAC Name5-(2-ethylimidazol-1-yl)-1,3-dimethylpyrazole-4-carbonitrile
SMILESCCc1nccn1-c1c(C#N)c(C)nn1C
InChIInChI=1S/C11H13N5/c1-4-10-13-5-6-16(10)11-9(7-12)8(2)14-15(11)3/h5-6H,4H2,1-3H3
InChIKeyUQINZMRFZPINAZ-UHFFFAOYSA-N
XLogP1.35
TPSA59.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-ethylimidazol-1-yl)-1,3-dimethylpyrazole-4-carbonitrile?
The IUPAC name of 5-(2-ethylimidazol-1-yl)-1,3-dimethylpyrazole-4-carbonitrile (CID 63753188) is 5-(2-ethylimidazol-1-yl)-1,3-dimethylpyrazole-4-carbonitrile.
What is the SMILES notation for 5-(2-ethylimidazol-1-yl)-1,3-dimethylpyrazole-4-carbonitrile?
The canonical SMILES for 5-(2-ethylimidazol-1-yl)-1,3-dimethylpyrazole-4-carbonitrile is CCc1nccn1-c1c(C#N)c(C)nn1C.
What is the InChIKey of 5-(2-ethylimidazol-1-yl)-1,3-dimethylpyrazole-4-carbonitrile?
The InChIKey is UQINZMRFZPINAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5/c1-4-10-13-5-6-16(10)11-9(7-12)8(2)14-15(11)3/h5-6H,4H2,1-3H3.
What are the key properties of 5-(2-ethylimidazol-1-yl)-1,3-dimethylpyrazole-4-carbonitrile?
5-(2-ethylimidazol-1-yl)-1,3-dimethylpyrazole-4-carbonitrile has a molecular weight of 215.26 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethylimidazol-1-yl)-1,3-dimethylpyrazole-4-carbonitrile is sourced from PubChem (CID 63753188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).