(5E)-4-ethyl-1-methyl-5-[(Z)-pent-3-en-2-ylidene]-4H-pyrazole

C11H18N2 — CID 163998709

IUPAC(5E)-4-ethyl-1-methyl-5-[(Z)-pent-3-en-2-ylidene]-4H-pyrazole
SMILESC/C=C\C(C)=C1/C(CC)C=NN1C
InChIInChI=1S/C11H18N2/c1-5-7-9(3)11-10(6-2)8-12-13(11)4/h5,7-8,10H,6H2,1-4H3/b7-5-,11-9+
InChIKeyUHABIVFLVQHUIS-BABZSUFTSA-N
MW178.28 g/mol
LogP2.79
Rot. Bonds2

About (5E)-4-ethyl-1-methyl-5-[(Z)-pent-3-en-2-ylidene]-4H-pyrazole

(5E)-4-ethyl-1-methyl-5-[(Z)-pent-3-en-2-ylidene]-4H-pyrazole (PubChem CID 163998709) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is (5E)-4-ethyl-1-methyl-5-[(Z)-pent-3-en-2-ylidene]-4H-pyrazole.

Molecular Properties

Compound Name(5E)-4-ethyl-1-methyl-5-[(Z)-pent-3-en-2-ylidene]-4H-pyrazole
PubChem CID163998709
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name(5E)-4-ethyl-1-methyl-5-[(Z)-pent-3-en-2-ylidene]-4H-pyrazole
SMILESC/C=C\C(C)=C1/C(CC)C=NN1C
InChIInChI=1S/C11H18N2/c1-5-7-9(3)11-10(6-2)8-12-13(11)4/h5,7-8,10H,6H2,1-4H3/b7-5-,11-9+
InChIKeyUHABIVFLVQHUIS-BABZSUFTSA-N
XLogP2.79
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5E)-4-ethyl-1-methyl-5-[(Z)-pent-3-en-2-ylidene]-4H-pyrazole?
The IUPAC name of (5E)-4-ethyl-1-methyl-5-[(Z)-pent-3-en-2-ylidene]-4H-pyrazole (CID 163998709) is (5E)-4-ethyl-1-methyl-5-[(Z)-pent-3-en-2-ylidene]-4H-pyrazole.
What is the SMILES notation for (5E)-4-ethyl-1-methyl-5-[(Z)-pent-3-en-2-ylidene]-4H-pyrazole?
The canonical SMILES for (5E)-4-ethyl-1-methyl-5-[(Z)-pent-3-en-2-ylidene]-4H-pyrazole is C/C=C\C(C)=C1/C(CC)C=NN1C.
What is the InChIKey of (5E)-4-ethyl-1-methyl-5-[(Z)-pent-3-en-2-ylidene]-4H-pyrazole?
The InChIKey is UHABIVFLVQHUIS-BABZSUFTSA-N. The full InChI is InChI=1S/C11H18N2/c1-5-7-9(3)11-10(6-2)8-12-13(11)4/h5,7-8,10H,6H2,1-4H3/b7-5-,11-9+.
What are the key properties of (5E)-4-ethyl-1-methyl-5-[(Z)-pent-3-en-2-ylidene]-4H-pyrazole?
(5E)-4-ethyl-1-methyl-5-[(Z)-pent-3-en-2-ylidene]-4H-pyrazole has a molecular weight of 178.28 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-4-ethyl-1-methyl-5-[(Z)-pent-3-en-2-ylidene]-4H-pyrazole is sourced from PubChem (CID 163998709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).