3-[(3Z,5Z)-4-fluorohepta-1,3,5-trien-3-yl]-5-methyl-1H-pyrazole

C11H13FN2 — CID 156543390

IUPAC3-[(3Z,5Z)-4-fluorohepta-1,3,5-trien-3-yl]-5-methyl-1H-pyrazole
SMILESC=C/C(=C(F)\C=C/C)c1cc(C)[nH]n1
InChIInChI=1S/C11H13FN2/c1-4-6-10(12)9(5-2)11-7-8(3)13-14-11/h4-7H,2H2,1,3H3,(H,13,14)/b6-4-,10-9-
InChIKeyWCGKJYXUYQZSHE-DRBYQGIJSA-N
MW192.24 g/mol
LogP3.16
Rot. Bonds3

About 3-[(3Z,5Z)-4-fluorohepta-1,3,5-trien-3-yl]-5-methyl-1H-pyrazole

3-[(3Z,5Z)-4-fluorohepta-1,3,5-trien-3-yl]-5-methyl-1H-pyrazole (PubChem CID 156543390) has the molecular formula C11H13FN2 and a molecular weight of 192.24 g/mol. Its IUPAC name is 3-[(3Z,5Z)-4-fluorohepta-1,3,5-trien-3-yl]-5-methyl-1H-pyrazole.

Molecular Properties

Compound Name3-[(3Z,5Z)-4-fluorohepta-1,3,5-trien-3-yl]-5-methyl-1H-pyrazole
PubChem CID156543390
Molecular FormulaC11H13FN2
Molecular Weight192.24 g/mol
Exact Mass192.11
IUPAC Name3-[(3Z,5Z)-4-fluorohepta-1,3,5-trien-3-yl]-5-methyl-1H-pyrazole
SMILESC=C/C(=C(F)\C=C/C)c1cc(C)[nH]n1
InChIInChI=1S/C11H13FN2/c1-4-6-10(12)9(5-2)11-7-8(3)13-14-11/h4-7H,2H2,1,3H3,(H,13,14)/b6-4-,10-9-
InChIKeyWCGKJYXUYQZSHE-DRBYQGIJSA-N
XLogP3.16
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-Methyl-5-phenyl-1H-pyrazole
CID 18774
5-tert-Butyl-3-(trifluoromethyl)-1H-pyrazole
CID 600756
(E)-3,5-dimethyl-4-(phenyldiazenyl)-1H-pyrazole
CID 199053
3,5-diethyl-1H-pyrazole
CID 4306367
3-(Heptafluoropropyl)-5-methyl-1H-pyrazole
CID 2774945
3-(Perfluoro-1-hexyl)-5-(methyl)pyrazole
CID 2776179
3-(Perfluoropentyl)-5-methylpyrazole
CID 2776343
3(5)-Methyl-5(3)-t-butylpyrazole
CID 145296
3-[(E)-2-phenylethenyl]-5-(trifluoromethyl)-1H-pyrazole
CID 5346430
3-(4-Fluorophenyl)-5-methyl-1H-pyrazole
CID 5239335
5-ethyl-3-(trifluoromethyl)-1H-pyrazole
CID 23006209
(2,4-difluorophenyl)-(3,5-dimethyl-1H-pyrazol-4-yl)diazene
CID 2797919

Frequently Asked Questions

What is the IUPAC name of 3-[(3Z,5Z)-4-fluorohepta-1,3,5-trien-3-yl]-5-methyl-1H-pyrazole?
The IUPAC name of 3-[(3Z,5Z)-4-fluorohepta-1,3,5-trien-3-yl]-5-methyl-1H-pyrazole (CID 156543390) is 3-[(3Z,5Z)-4-fluorohepta-1,3,5-trien-3-yl]-5-methyl-1H-pyrazole.
What is the SMILES notation for 3-[(3Z,5Z)-4-fluorohepta-1,3,5-trien-3-yl]-5-methyl-1H-pyrazole?
The canonical SMILES for 3-[(3Z,5Z)-4-fluorohepta-1,3,5-trien-3-yl]-5-methyl-1H-pyrazole is C=C/C(=C(F)\C=C/C)c1cc(C)[nH]n1.
What is the InChIKey of 3-[(3Z,5Z)-4-fluorohepta-1,3,5-trien-3-yl]-5-methyl-1H-pyrazole?
The InChIKey is WCGKJYXUYQZSHE-DRBYQGIJSA-N. The full InChI is InChI=1S/C11H13FN2/c1-4-6-10(12)9(5-2)11-7-8(3)13-14-11/h4-7H,2H2,1,3H3,(H,13,14)/b6-4-,10-9-.
What are the key properties of 3-[(3Z,5Z)-4-fluorohepta-1,3,5-trien-3-yl]-5-methyl-1H-pyrazole?
3-[(3Z,5Z)-4-fluorohepta-1,3,5-trien-3-yl]-5-methyl-1H-pyrazole has a molecular weight of 192.24 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3Z,5Z)-4-fluorohepta-1,3,5-trien-3-yl]-5-methyl-1H-pyrazole is sourced from PubChem (CID 156543390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).