(4E,5E)-1,3-dimethyl-4,5-bis(prop-2-enylidene)pyrazole

C11H14N2 — CID 134342687

IUPAC(4E,5E)-1,3-dimethyl-4,5-bis(prop-2-enylidene)pyrazole
SMILESC=C/C=c1/c(C)nn(C)/c1=C/C=C
InChIInChI=1S/C11H14N2/c1-5-7-10-9(3)12-13(4)11(10)8-6-2/h5-8H,1-2H2,3-4H3/b10-7-,11-8+
InChIKeyVYXRRMZXPXKSEP-BDLVGCLISA-N
MW174.25 g/mol
LogP0.66
Rot. Bonds2

About (4E,5E)-1,3-dimethyl-4,5-bis(prop-2-enylidene)pyrazole

(4E,5E)-1,3-dimethyl-4,5-bis(prop-2-enylidene)pyrazole (PubChem CID 134342687) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is (4E,5E)-1,3-dimethyl-4,5-bis(prop-2-enylidene)pyrazole.

Molecular Properties

Compound Name(4E,5E)-1,3-dimethyl-4,5-bis(prop-2-enylidene)pyrazole
PubChem CID134342687
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name(4E,5E)-1,3-dimethyl-4,5-bis(prop-2-enylidene)pyrazole
SMILESC=C/C=c1/c(C)nn(C)/c1=C/C=C
InChIInChI=1S/C11H14N2/c1-5-7-10-9(3)12-13(4)11(10)8-6-2/h5-8H,1-2H2,3-4H3/b10-7-,11-8+
InChIKeyVYXRRMZXPXKSEP-BDLVGCLISA-N
XLogP0.66
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4E,5E)-1,3-dimethyl-4,5-bis(prop-2-enylidene)pyrazole?
The IUPAC name of (4E,5E)-1,3-dimethyl-4,5-bis(prop-2-enylidene)pyrazole (CID 134342687) is (4E,5E)-1,3-dimethyl-4,5-bis(prop-2-enylidene)pyrazole.
What is the SMILES notation for (4E,5E)-1,3-dimethyl-4,5-bis(prop-2-enylidene)pyrazole?
The canonical SMILES for (4E,5E)-1,3-dimethyl-4,5-bis(prop-2-enylidene)pyrazole is C=C/C=c1/c(C)nn(C)/c1=C/C=C.
What is the InChIKey of (4E,5E)-1,3-dimethyl-4,5-bis(prop-2-enylidene)pyrazole?
The InChIKey is VYXRRMZXPXKSEP-BDLVGCLISA-N. The full InChI is InChI=1S/C11H14N2/c1-5-7-10-9(3)12-13(4)11(10)8-6-2/h5-8H,1-2H2,3-4H3/b10-7-,11-8+.
What are the key properties of (4E,5E)-1,3-dimethyl-4,5-bis(prop-2-enylidene)pyrazole?
(4E,5E)-1,3-dimethyl-4,5-bis(prop-2-enylidene)pyrazole has a molecular weight of 174.25 g/mol, XLogP of 0.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5E)-1,3-dimethyl-4,5-bis(prop-2-enylidene)pyrazole is sourced from PubChem (CID 134342687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).