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

C12H20N2 — CID 129238611

IUPAC(5E)-5-[(Z)-but-2-enylidene]-4-butyl-1-methyl-4H-pyrazole
SMILESC/C=C\C=C1/C(CCCC)C=NN1C
InChIInChI=1S/C12H20N2/c1-4-6-8-11-10-13-14(3)12(11)9-7-5-2/h5,7,9-11H,4,6,8H2,1-3H3/b7-5-,12-9+
InChIKeyXQEJADYQGNUBSD-MHBAEANFSA-N
MW192.31 g/mol
LogP3.18
Rot. Bonds4

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

(5E)-5-[(Z)-but-2-enylidene]-4-butyl-1-methyl-4H-pyrazole (PubChem CID 129238611) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is (5E)-5-[(Z)-but-2-enylidene]-4-butyl-1-methyl-4H-pyrazole.

Molecular Properties

Compound Name(5E)-5-[(Z)-but-2-enylidene]-4-butyl-1-methyl-4H-pyrazole
PubChem CID129238611
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name(5E)-5-[(Z)-but-2-enylidene]-4-butyl-1-methyl-4H-pyrazole
SMILESC/C=C\C=C1/C(CCCC)C=NN1C
InChIInChI=1S/C12H20N2/c1-4-6-8-11-10-13-14(3)12(11)9-7-5-2/h5,7,9-11H,4,6,8H2,1-3H3/b7-5-,12-9+
InChIKeyXQEJADYQGNUBSD-MHBAEANFSA-N
XLogP3.18
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(Z)-but-2-enylidene]-4-butyl-1-methyl-4H-pyrazole?
The IUPAC name of (5E)-5-[(Z)-but-2-enylidene]-4-butyl-1-methyl-4H-pyrazole (CID 129238611) is (5E)-5-[(Z)-but-2-enylidene]-4-butyl-1-methyl-4H-pyrazole.
What is the SMILES notation for (5E)-5-[(Z)-but-2-enylidene]-4-butyl-1-methyl-4H-pyrazole?
The canonical SMILES for (5E)-5-[(Z)-but-2-enylidene]-4-butyl-1-methyl-4H-pyrazole is C/C=C\C=C1/C(CCCC)C=NN1C.
What is the InChIKey of (5E)-5-[(Z)-but-2-enylidene]-4-butyl-1-methyl-4H-pyrazole?
The InChIKey is XQEJADYQGNUBSD-MHBAEANFSA-N. The full InChI is InChI=1S/C12H20N2/c1-4-6-8-11-10-13-14(3)12(11)9-7-5-2/h5,7,9-11H,4,6,8H2,1-3H3/b7-5-,12-9+.
What are the key properties of (5E)-5-[(Z)-but-2-enylidene]-4-butyl-1-methyl-4H-pyrazole?
(5E)-5-[(Z)-but-2-enylidene]-4-butyl-1-methyl-4H-pyrazole has a molecular weight of 192.31 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(Z)-but-2-enylidene]-4-butyl-1-methyl-4H-pyrazole is sourced from PubChem (CID 129238611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).