4-(3-fluorobuta-1,3-dien-2-yl)-1-methylpyrazole

C8H9FN2 — CID 123160841

IUPAC4-(3-fluorobuta-1,3-dien-2-yl)-1-methylpyrazole
SMILESC=C(F)C(=C)c1cnn(C)c1
InChIInChI=1S/C8H9FN2/c1-6(7(2)9)8-4-10-11(3)5-8/h4-5H,1-2H2,3H3
InChIKeyHMMFSYCXUPRFRC-UHFFFAOYSA-N
MW152.17 g/mol
LogP1.92
Rot. Bonds2

About 4-(3-fluorobuta-1,3-dien-2-yl)-1-methylpyrazole

4-(3-fluorobuta-1,3-dien-2-yl)-1-methylpyrazole (PubChem CID 123160841) has the molecular formula C8H9FN2 and a molecular weight of 152.17 g/mol. Its IUPAC name is 4-(3-fluorobuta-1,3-dien-2-yl)-1-methylpyrazole.

Molecular Properties

Compound Name4-(3-fluorobuta-1,3-dien-2-yl)-1-methylpyrazole
PubChem CID123160841
Molecular FormulaC8H9FN2
Molecular Weight152.17 g/mol
Exact Mass152.07
IUPAC Name4-(3-fluorobuta-1,3-dien-2-yl)-1-methylpyrazole
SMILESC=C(F)C(=C)c1cnn(C)c1
InChIInChI=1S/C8H9FN2/c1-6(7(2)9)8-4-10-11(3)5-8/h4-5H,1-2H2,3H3
InChIKeyHMMFSYCXUPRFRC-UHFFFAOYSA-N
XLogP1.92
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.17
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(3-fluorobuta-1,3-dien-2-yl)-1-methylpyrazole 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-methyl-1H-pyrazol-4-yl)acetonitrile
CID 43154732
4-ethenyl-1-methyl-1H-pyrazole
CID 21825964
1-(1-methyl-1H-pyrazol-4-yl)ethan-1-amine
CID 23005782
2-(1-Methyl-1H-pyrazol-4-yl)ethan-1-amine
CID 23005857
2,2,2-trifluoro-1-(1-methyl-1H-pyrazol-4-yl)ethan-1-amine
CID 43124155
2-(1-methyl-1H-pyrazol-4-yl)propan-2-amine
CID 54595161
2-(1-methyl-1H-pyrazol-4-yl)propanenitrile
CID 61792416
2-(1-methyl-1H-pyrazol-4-yl)ethan-1-amine hydrochloride
CID 72206834
1-tert-butyl-4-ethenyl-1H-pyrazole
CID 14510323
2-(1-methyl-1H-pyrazol-4-yl)acetonitrile hydrochloride
CID 165993157
4-Ethyl-1-methylpyrazole
CID 22948535
4-Tert-butyl-1-ethenylpyrazole
CID 154722705

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorobuta-1,3-dien-2-yl)-1-methylpyrazole?
The IUPAC name of 4-(3-fluorobuta-1,3-dien-2-yl)-1-methylpyrazole (CID 123160841) is 4-(3-fluorobuta-1,3-dien-2-yl)-1-methylpyrazole.
What is the SMILES notation for 4-(3-fluorobuta-1,3-dien-2-yl)-1-methylpyrazole?
The canonical SMILES for 4-(3-fluorobuta-1,3-dien-2-yl)-1-methylpyrazole is C=C(F)C(=C)c1cnn(C)c1.
What is the InChIKey of 4-(3-fluorobuta-1,3-dien-2-yl)-1-methylpyrazole?
The InChIKey is HMMFSYCXUPRFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2/c1-6(7(2)9)8-4-10-11(3)5-8/h4-5H,1-2H2,3H3.
What are the key properties of 4-(3-fluorobuta-1,3-dien-2-yl)-1-methylpyrazole?
4-(3-fluorobuta-1,3-dien-2-yl)-1-methylpyrazole has a molecular weight of 152.17 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorobuta-1,3-dien-2-yl)-1-methylpyrazole is sourced from PubChem (CID 123160841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).