(5E)-5-[(Z)-2-ethylbut-2-enylidene]-1-methyl-4H-pyrazole

C10H16N2 — CID 166814551

IUPAC(5E)-5-[(Z)-2-ethylbut-2-enylidene]-1-methyl-4H-pyrazole
SMILESC/C=C(\C=C1/CC=NN1C)CC
InChIInChI=1S/C10H16N2/c1-4-9(5-2)8-10-6-7-11-12(10)3/h4,7-8H,5-6H2,1-3H3/b9-4-,10-8+
InChIKeyHGMJPAJHZIFNOE-QUYHOBBBSA-N
MW164.25 g/mol
LogP2.55
Rot. Bonds2

About (5E)-5-[(Z)-2-ethylbut-2-enylidene]-1-methyl-4H-pyrazole

(5E)-5-[(Z)-2-ethylbut-2-enylidene]-1-methyl-4H-pyrazole (PubChem CID 166814551) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is (5E)-5-[(Z)-2-ethylbut-2-enylidene]-1-methyl-4H-pyrazole.

Molecular Properties

Compound Name(5E)-5-[(Z)-2-ethylbut-2-enylidene]-1-methyl-4H-pyrazole
PubChem CID166814551
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name(5E)-5-[(Z)-2-ethylbut-2-enylidene]-1-methyl-4H-pyrazole
SMILESC/C=C(\C=C1/CC=NN1C)CC
InChIInChI=1S/C10H16N2/c1-4-9(5-2)8-10-6-7-11-12(10)3/h4,7-8H,5-6H2,1-3H3/b9-4-,10-8+
InChIKeyHGMJPAJHZIFNOE-QUYHOBBBSA-N
XLogP2.55
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(Z)-2-ethylbut-2-enylidene]-1-methyl-4H-pyrazole?
The IUPAC name of (5E)-5-[(Z)-2-ethylbut-2-enylidene]-1-methyl-4H-pyrazole (CID 166814551) is (5E)-5-[(Z)-2-ethylbut-2-enylidene]-1-methyl-4H-pyrazole.
What is the SMILES notation for (5E)-5-[(Z)-2-ethylbut-2-enylidene]-1-methyl-4H-pyrazole?
The canonical SMILES for (5E)-5-[(Z)-2-ethylbut-2-enylidene]-1-methyl-4H-pyrazole is C/C=C(\C=C1/CC=NN1C)CC.
What is the InChIKey of (5E)-5-[(Z)-2-ethylbut-2-enylidene]-1-methyl-4H-pyrazole?
The InChIKey is HGMJPAJHZIFNOE-QUYHOBBBSA-N. The full InChI is InChI=1S/C10H16N2/c1-4-9(5-2)8-10-6-7-11-12(10)3/h4,7-8H,5-6H2,1-3H3/b9-4-,10-8+.
What are the key properties of (5E)-5-[(Z)-2-ethylbut-2-enylidene]-1-methyl-4H-pyrazole?
(5E)-5-[(Z)-2-ethylbut-2-enylidene]-1-methyl-4H-pyrazole has a molecular weight of 164.25 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(Z)-2-ethylbut-2-enylidene]-1-methyl-4H-pyrazole is sourced from PubChem (CID 166814551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).