(4E,5E)-1-tert-butyl-4,5-bis(prop-2-enylidene)pyrazole

C13H18N2 — CID 155378107

IUPAC(4E,5E)-1-tert-butyl-4,5-bis(prop-2-enylidene)pyrazole
SMILESC=C/C=c1/cnn(C(C)(C)C)/c1=C/C=C
InChIInChI=1S/C13H18N2/c1-6-8-11-10-14-15(13(3,4)5)12(11)9-7-2/h6-10H,1-2H2,3-5H3/b11-8-,12-9+
InChIKeyXDTPDIPYJGXCQS-QABOREQESA-N
MW202.30 g/mol
LogP1.57
Rot. Bonds2

About (4E,5E)-1-tert-butyl-4,5-bis(prop-2-enylidene)pyrazole

(4E,5E)-1-tert-butyl-4,5-bis(prop-2-enylidene)pyrazole (PubChem CID 155378107) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is (4E,5E)-1-tert-butyl-4,5-bis(prop-2-enylidene)pyrazole.

Molecular Properties

Compound Name(4E,5E)-1-tert-butyl-4,5-bis(prop-2-enylidene)pyrazole
PubChem CID155378107
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name(4E,5E)-1-tert-butyl-4,5-bis(prop-2-enylidene)pyrazole
SMILESC=C/C=c1/cnn(C(C)(C)C)/c1=C/C=C
InChIInChI=1S/C13H18N2/c1-6-8-11-10-14-15(13(3,4)5)12(11)9-7-2/h6-10H,1-2H2,3-5H3/b11-8-,12-9+
InChIKeyXDTPDIPYJGXCQS-QABOREQESA-N
XLogP1.57
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4E,5E)-1-tert-butyl-4,5-bis(prop-2-enylidene)pyrazole?
The IUPAC name of (4E,5E)-1-tert-butyl-4,5-bis(prop-2-enylidene)pyrazole (CID 155378107) is (4E,5E)-1-tert-butyl-4,5-bis(prop-2-enylidene)pyrazole.
What is the SMILES notation for (4E,5E)-1-tert-butyl-4,5-bis(prop-2-enylidene)pyrazole?
The canonical SMILES for (4E,5E)-1-tert-butyl-4,5-bis(prop-2-enylidene)pyrazole is C=C/C=c1/cnn(C(C)(C)C)/c1=C/C=C.
What is the InChIKey of (4E,5E)-1-tert-butyl-4,5-bis(prop-2-enylidene)pyrazole?
The InChIKey is XDTPDIPYJGXCQS-QABOREQESA-N. The full InChI is InChI=1S/C13H18N2/c1-6-8-11-10-14-15(13(3,4)5)12(11)9-7-2/h6-10H,1-2H2,3-5H3/b11-8-,12-9+.
What are the key properties of (4E,5E)-1-tert-butyl-4,5-bis(prop-2-enylidene)pyrazole?
(4E,5E)-1-tert-butyl-4,5-bis(prop-2-enylidene)pyrazole has a molecular weight of 202.30 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5E)-1-tert-butyl-4,5-bis(prop-2-enylidene)pyrazole is sourced from PubChem (CID 155378107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).