4-[(1E,3E)-3-bromo-1-fluoropenta-1,3-dienyl]-1,5-dimethylpyrazole

C10H12BrFN2 — CID 145062948

IUPAC4-[(1E,3E)-3-bromo-1-fluoropenta-1,3-dienyl]-1,5-dimethylpyrazole
SMILESC/C=C(Br)\C=C(\F)c1cnn(C)c1C
InChIInChI=1S/C10H12BrFN2/c1-4-8(11)5-10(12)9-6-13-14(3)7(9)2/h4-6H,1-3H3/b8-4+,10-5+
InChIKeyZGFBTDQBGFEMPN-DXNUHORPSA-N
MW259.12 g/mol
LogP3.34
Rot. Bonds2

About 4-[(1E,3E)-3-bromo-1-fluoropenta-1,3-dienyl]-1,5-dimethylpyrazole

4-[(1E,3E)-3-bromo-1-fluoropenta-1,3-dienyl]-1,5-dimethylpyrazole (PubChem CID 145062948) has the molecular formula C10H12BrFN2 and a molecular weight of 259.12 g/mol. Its IUPAC name is 4-[(1E,3E)-3-bromo-1-fluoropenta-1,3-dienyl]-1,5-dimethylpyrazole.

Molecular Properties

Compound Name4-[(1E,3E)-3-bromo-1-fluoropenta-1,3-dienyl]-1,5-dimethylpyrazole
PubChem CID145062948
Molecular FormulaC10H12BrFN2
Molecular Weight259.12 g/mol
Exact Mass258.02
IUPAC Name4-[(1E,3E)-3-bromo-1-fluoropenta-1,3-dienyl]-1,5-dimethylpyrazole
SMILESC/C=C(Br)\C=C(\F)c1cnn(C)c1C
InChIInChI=1S/C10H12BrFN2/c1-4-8(11)5-10(12)9-6-13-14(3)7(9)2/h4-6H,1-3H3/b8-4+,10-5+
InChIKeyZGFBTDQBGFEMPN-DXNUHORPSA-N
XLogP3.34
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.12
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[(1E,3E)-3-bromo-1-fluoropenta-1,3-dienyl]-1,5-dimethylpyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[1-(2-Cyanoethyl)-3-methylpyrazol-4-yl]methylidene]propanedinitrile
CID 2309217
5-Bromo-1-methyl-6,7-dihydroindazole
CID 16122305
3-(difluoromethyl)-4-ethenyl-1-methyl-1H-pyrazole
CID 59499487
4-Ethenyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole
CID 90162145
4-ethenyl-1-methyl-3-(trifluoromethyl)-1H-pyrazole
CID 90162148
4-Ethenyl-1-ethyl-3-(trifluoromethyl)pyrazole
CID 118357782
4-[(2E,4E)-5-fluorohexa-2,4-dien-3-yl]-1-methylpyrazole
CID 118951977
4-(2,2-Dibromoethenyl)-1-(3,3-dimethylbutyl)-3-(trifluoromethyl)pyrazole
CID 121340395
4-But-2-en-2-yl-1-(difluoromethyl)-3-methylpyrazole
CID 123152613
4-(1-Fluorobut-2-en-2-yl)-1-methylpyrazole
CID 123461946
5-Methyl-1-propan-2-yl-4-(3,3,3-trifluoroprop-1-en-2-yl)pyrazole
CID 126758600
7-Ethenyl-3-fluoro-5-(1-methylpyrazol-4-yl)cyclohepta-1,2,4,6-tetraen-1-amine
CID 126763540

Frequently Asked Questions

What is the IUPAC name of 4-[(1E,3E)-3-bromo-1-fluoropenta-1,3-dienyl]-1,5-dimethylpyrazole?
The IUPAC name of 4-[(1E,3E)-3-bromo-1-fluoropenta-1,3-dienyl]-1,5-dimethylpyrazole (CID 145062948) is 4-[(1E,3E)-3-bromo-1-fluoropenta-1,3-dienyl]-1,5-dimethylpyrazole.
What is the SMILES notation for 4-[(1E,3E)-3-bromo-1-fluoropenta-1,3-dienyl]-1,5-dimethylpyrazole?
The canonical SMILES for 4-[(1E,3E)-3-bromo-1-fluoropenta-1,3-dienyl]-1,5-dimethylpyrazole is C/C=C(Br)\C=C(\F)c1cnn(C)c1C.
What is the InChIKey of 4-[(1E,3E)-3-bromo-1-fluoropenta-1,3-dienyl]-1,5-dimethylpyrazole?
The InChIKey is ZGFBTDQBGFEMPN-DXNUHORPSA-N. The full InChI is InChI=1S/C10H12BrFN2/c1-4-8(11)5-10(12)9-6-13-14(3)7(9)2/h4-6H,1-3H3/b8-4+,10-5+.
What are the key properties of 4-[(1E,3E)-3-bromo-1-fluoropenta-1,3-dienyl]-1,5-dimethylpyrazole?
4-[(1E,3E)-3-bromo-1-fluoropenta-1,3-dienyl]-1,5-dimethylpyrazole has a molecular weight of 259.12 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1E,3E)-3-bromo-1-fluoropenta-1,3-dienyl]-1,5-dimethylpyrazole is sourced from PubChem (CID 145062948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).