(4E,5E)-5-ethylidene-1-propan-2-yl-4-prop-2-enylidenepyrazole

C11H16N2 — CID 155378094

IUPAC(4E,5E)-5-ethylidene-1-propan-2-yl-4-prop-2-enylidenepyrazole
SMILESC=C/C=c1/cnn(C(C)C)/c1=C/C
InChIInChI=1S/C11H16N2/c1-5-7-10-8-12-13(9(3)4)11(10)6-2/h5-9H,1H2,2-4H3/b10-7-,11-6+
InChIKeyDLMKDLDLYDCXLQ-IKVLVDHLSA-N
MW176.26 g/mol
LogP1.23
Rot. Bonds2

About (4E,5E)-5-ethylidene-1-propan-2-yl-4-prop-2-enylidenepyrazole

(4E,5E)-5-ethylidene-1-propan-2-yl-4-prop-2-enylidenepyrazole (PubChem CID 155378094) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is (4E,5E)-5-ethylidene-1-propan-2-yl-4-prop-2-enylidenepyrazole.

Molecular Properties

Compound Name(4E,5E)-5-ethylidene-1-propan-2-yl-4-prop-2-enylidenepyrazole
PubChem CID155378094
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name(4E,5E)-5-ethylidene-1-propan-2-yl-4-prop-2-enylidenepyrazole
SMILESC=C/C=c1/cnn(C(C)C)/c1=C/C
InChIInChI=1S/C11H16N2/c1-5-7-10-8-12-13(9(3)4)11(10)6-2/h5-9H,1H2,2-4H3/b10-7-,11-6+
InChIKeyDLMKDLDLYDCXLQ-IKVLVDHLSA-N
XLogP1.23
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4E,5E)-5-ethylidene-1-propan-2-yl-4-prop-2-enylidenepyrazole?
The IUPAC name of (4E,5E)-5-ethylidene-1-propan-2-yl-4-prop-2-enylidenepyrazole (CID 155378094) is (4E,5E)-5-ethylidene-1-propan-2-yl-4-prop-2-enylidenepyrazole.
What is the SMILES notation for (4E,5E)-5-ethylidene-1-propan-2-yl-4-prop-2-enylidenepyrazole?
The canonical SMILES for (4E,5E)-5-ethylidene-1-propan-2-yl-4-prop-2-enylidenepyrazole is C=C/C=c1/cnn(C(C)C)/c1=C/C.
What is the InChIKey of (4E,5E)-5-ethylidene-1-propan-2-yl-4-prop-2-enylidenepyrazole?
The InChIKey is DLMKDLDLYDCXLQ-IKVLVDHLSA-N. The full InChI is InChI=1S/C11H16N2/c1-5-7-10-8-12-13(9(3)4)11(10)6-2/h5-9H,1H2,2-4H3/b10-7-,11-6+.
What are the key properties of (4E,5E)-5-ethylidene-1-propan-2-yl-4-prop-2-enylidenepyrazole?
(4E,5E)-5-ethylidene-1-propan-2-yl-4-prop-2-enylidenepyrazole has a molecular weight of 176.26 g/mol, XLogP of 1.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5E)-5-ethylidene-1-propan-2-yl-4-prop-2-enylidenepyrazole is sourced from PubChem (CID 155378094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).