(4E,5Z)-1-cyclohex-3-en-1-yl-5-(fluoromethylidene)-4-[(Z)-2-methylbut-2-enylidene]pyrazole

C15H19FN2 — CID 130341197

IUPAC(4E,5Z)-1-cyclohex-3-en-1-yl-5-(fluoromethylidene)-4-[(Z)-2-methylbut-2-enylidene]pyrazole
SMILESC/C=C(C)\C=c1\cnn(C2CC=CCC2)\c1=C/F
InChIInChI=1S/C15H19FN2/c1-3-12(2)9-13-11-17-18(15(13)10-16)14-7-5-4-6-8-14/h3-5,9-11,14H,6-8H2,1-2H3/b12-3-,13-9-,15-10-
InChIKeyOEZZGMJTJLLRGD-RWBDHIERSA-N
MW246.33 g/mol
LogP2.62
Rot. Bonds2

About (4E,5Z)-1-cyclohex-3-en-1-yl-5-(fluoromethylidene)-4-[(Z)-2-methylbut-2-enylidene]pyrazole

(4E,5Z)-1-cyclohex-3-en-1-yl-5-(fluoromethylidene)-4-[(Z)-2-methylbut-2-enylidene]pyrazole (PubChem CID 130341197) has the molecular formula C15H19FN2 and a molecular weight of 246.33 g/mol. Its IUPAC name is (4E,5Z)-1-cyclohex-3-en-1-yl-5-(fluoromethylidene)-4-[(Z)-2-methylbut-2-enylidene]pyrazole.

Molecular Properties

Compound Name(4E,5Z)-1-cyclohex-3-en-1-yl-5-(fluoromethylidene)-4-[(Z)-2-methylbut-2-enylidene]pyrazole
PubChem CID130341197
Molecular FormulaC15H19FN2
Molecular Weight246.33 g/mol
Exact Mass246.15
IUPAC Name(4E,5Z)-1-cyclohex-3-en-1-yl-5-(fluoromethylidene)-4-[(Z)-2-methylbut-2-enylidene]pyrazole
SMILESC/C=C(C)\C=c1\cnn(C2CC=CCC2)\c1=C/F
InChIInChI=1S/C15H19FN2/c1-3-12(2)9-13-11-17-18(15(13)10-16)14-7-5-4-6-8-14/h3-5,9-11,14H,6-8H2,1-2H3/b12-3-,13-9-,15-10-
InChIKeyOEZZGMJTJLLRGD-RWBDHIERSA-N
XLogP2.62
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4E,5Z)-1-cyclohex-3-en-1-yl-5-(fluoromethylidene)-4-[(Z)-2-methylbut-2-enylidene]pyrazole?
The IUPAC name of (4E,5Z)-1-cyclohex-3-en-1-yl-5-(fluoromethylidene)-4-[(Z)-2-methylbut-2-enylidene]pyrazole (CID 130341197) is (4E,5Z)-1-cyclohex-3-en-1-yl-5-(fluoromethylidene)-4-[(Z)-2-methylbut-2-enylidene]pyrazole.
What is the SMILES notation for (4E,5Z)-1-cyclohex-3-en-1-yl-5-(fluoromethylidene)-4-[(Z)-2-methylbut-2-enylidene]pyrazole?
The canonical SMILES for (4E,5Z)-1-cyclohex-3-en-1-yl-5-(fluoromethylidene)-4-[(Z)-2-methylbut-2-enylidene]pyrazole is C/C=C(C)\C=c1\cnn(C2CC=CCC2)\c1=C/F.
What is the InChIKey of (4E,5Z)-1-cyclohex-3-en-1-yl-5-(fluoromethylidene)-4-[(Z)-2-methylbut-2-enylidene]pyrazole?
The InChIKey is OEZZGMJTJLLRGD-RWBDHIERSA-N. The full InChI is InChI=1S/C15H19FN2/c1-3-12(2)9-13-11-17-18(15(13)10-16)14-7-5-4-6-8-14/h3-5,9-11,14H,6-8H2,1-2H3/b12-3-,13-9-,15-10-.
What are the key properties of (4E,5Z)-1-cyclohex-3-en-1-yl-5-(fluoromethylidene)-4-[(Z)-2-methylbut-2-enylidene]pyrazole?
(4E,5Z)-1-cyclohex-3-en-1-yl-5-(fluoromethylidene)-4-[(Z)-2-methylbut-2-enylidene]pyrazole has a molecular weight of 246.33 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5Z)-1-cyclohex-3-en-1-yl-5-(fluoromethylidene)-4-[(Z)-2-methylbut-2-enylidene]pyrazole is sourced from PubChem (CID 130341197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).