4-[(3Z)-5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]-1H-pyrazole

C10H9F3N2 — CID 170977408

IUPAC4-[(3Z)-5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]-1H-pyrazole
SMILESC=C(/C=C\C(=C)C(F)(F)F)c1cn[nH]c1
InChIInChI=1S/C10H9F3N2/c1-7(9-5-14-15-6-9)3-4-8(2)10(11,12)13/h3-6H,1-2H2,(H,14,15)/b4-3-
InChIKeyXAZINYSLOBVGCO-ARJAWSKDSA-N
MW214.19 g/mol
LogP3.10
Rot. Bonds3

About 4-[(3Z)-5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]-1H-pyrazole

4-[(3Z)-5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]-1H-pyrazole (PubChem CID 170977408) has the molecular formula C10H9F3N2 and a molecular weight of 214.19 g/mol. Its IUPAC name is 4-[(3Z)-5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]-1H-pyrazole.

Molecular Properties

Compound Name4-[(3Z)-5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]-1H-pyrazole
PubChem CID170977408
Molecular FormulaC10H9F3N2
Molecular Weight214.19 g/mol
Exact Mass214.07
IUPAC Name4-[(3Z)-5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]-1H-pyrazole
SMILESC=C(/C=C\C(=C)C(F)(F)F)c1cn[nH]c1
InChIInChI=1S/C10H9F3N2/c1-7(9-5-14-15-6-9)3-4-8(2)10(11,12)13/h3-6H,1-2H2,(H,14,15)/b4-3-
InChIKeyXAZINYSLOBVGCO-ARJAWSKDSA-N
XLogP3.10
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.19
LogP ≤ 53.10
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

4-(2,2,2-trifluoroethyl)-1H-pyrazole
CID 91351724
4-(1,1-difluoroethyl)-1H-pyrazole
CID 105427656
4-Allylpyrazole
CID 53809360
1H-Pyrazole, 4-(4,4-difluoro-1-cyclohexen-1-yl)-
CID 89962145
4-(2,2-difluoroethyl)-1H-pyrazole
CID 123692957
4-[(1Z,3Z,5Z)-2-fluorocycloocta-1,3,5-trien-1-yl]-1H-pyrazole
CID 145324643
4-[3-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-1H-pyrazol-5-amine
CID 156315201
(E)-2-[5-[(E)-2-fluoroethenyl]-1H-pyrazol-4-yl]ethenamine
CID 162488863
2-bromo-2-fluoro-5-(1H-pyrazol-4-yl)-1H-pyridine
CID 163211611
4-ethenyl-3-(trifluoromethyl)-1H-pyrazole
CID 165667431
4-[1-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]propyl]-1H-pyrazole
CID 166701389
4-[(3S)-3,6-difluoro-4-methylcyclohexa-1,5-dien-1-yl]-1H-pyrazole
CID 170114876

Frequently Asked Questions

What is the IUPAC name of 4-[(3Z)-5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]-1H-pyrazole?
The IUPAC name of 4-[(3Z)-5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]-1H-pyrazole (CID 170977408) is 4-[(3Z)-5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]-1H-pyrazole.
What is the SMILES notation for 4-[(3Z)-5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]-1H-pyrazole?
The canonical SMILES for 4-[(3Z)-5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]-1H-pyrazole is C=C(/C=C\C(=C)C(F)(F)F)c1cn[nH]c1.
What is the InChIKey of 4-[(3Z)-5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]-1H-pyrazole?
The InChIKey is XAZINYSLOBVGCO-ARJAWSKDSA-N. The full InChI is InChI=1S/C10H9F3N2/c1-7(9-5-14-15-6-9)3-4-8(2)10(11,12)13/h3-6H,1-2H2,(H,14,15)/b4-3-.
What are the key properties of 4-[(3Z)-5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]-1H-pyrazole?
4-[(3Z)-5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]-1H-pyrazole has a molecular weight of 214.19 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3Z)-5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]-1H-pyrazole is sourced from PubChem (CID 170977408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).