1-(4,4-difluoro-3-methylbut-3-enyl)pyrazole

C8H10F2N2 — CID 155933446

IUPAC1-(4,4-difluoro-3-methylbut-3-enyl)pyrazole
SMILESCC(CCn1cccn1)=C(F)F
InChIInChI=1S/C8H10F2N2/c1-7(8(9)10)3-6-12-5-2-4-11-12/h2,4-5H,3,6H2,1H3
InChIKeySDGJEJIWPAMKGR-UHFFFAOYSA-N
MW172.18 g/mol
LogP2.44
Rot. Bonds3

About 1-(4,4-difluoro-3-methylbut-3-enyl)pyrazole

1-(4,4-difluoro-3-methylbut-3-enyl)pyrazole (PubChem CID 155933446) has the molecular formula C8H10F2N2 and a molecular weight of 172.18 g/mol. Its IUPAC name is 1-(4,4-difluoro-3-methylbut-3-enyl)pyrazole.

Molecular Properties

Compound Name1-(4,4-difluoro-3-methylbut-3-enyl)pyrazole
PubChem CID155933446
Molecular FormulaC8H10F2N2
Molecular Weight172.18 g/mol
Exact Mass172.08
IUPAC Name1-(4,4-difluoro-3-methylbut-3-enyl)pyrazole
SMILESCC(CCn1cccn1)=C(F)F
InChIInChI=1S/C8H10F2N2/c1-7(8(9)10)3-6-12-5-2-4-11-12/h2,4-5H,3,6H2,1H3
InChIKeySDGJEJIWPAMKGR-UHFFFAOYSA-N
XLogP2.44
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(4,4-difluoro-3-methylbut-3-enyl)pyrazole 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

1-(trifluoromethyl)-1H-pyrazole
CID 18981687
1-(2,2,2-trifluoroethyl)-1H-pyrazole
CID 22747510
1H-Pyrazole, 1-methyl-
CID 70255
1-Ethylpyrazole
CID 498446
1-tert-Butyl-1H-pyrazole
CID 13469815
1-Propyl-1H-pyrazole
CID 12711096
1-isopropyl-1H-pyrazole
CID 13469816
1-(prop-2-en-1-yl)-1H-pyrazole
CID 3489293
1-(difluoromethyl)-1H-pyrazole
CID 5253348
1-butyl-1H-pyrazole
CID 142906
1,2-Dimethyl-1H-pyrazol-2-ium iodide
CID 13001652
1-(2,2-difluoroethyl)-1H-pyrazole
CID 25247479

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluoro-3-methylbut-3-enyl)pyrazole?
The IUPAC name of 1-(4,4-difluoro-3-methylbut-3-enyl)pyrazole (CID 155933446) is 1-(4,4-difluoro-3-methylbut-3-enyl)pyrazole.
What is the SMILES notation for 1-(4,4-difluoro-3-methylbut-3-enyl)pyrazole?
The canonical SMILES for 1-(4,4-difluoro-3-methylbut-3-enyl)pyrazole is CC(CCn1cccn1)=C(F)F.
What is the InChIKey of 1-(4,4-difluoro-3-methylbut-3-enyl)pyrazole?
The InChIKey is SDGJEJIWPAMKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N2/c1-7(8(9)10)3-6-12-5-2-4-11-12/h2,4-5H,3,6H2,1H3.
What are the key properties of 1-(4,4-difluoro-3-methylbut-3-enyl)pyrazole?
1-(4,4-difluoro-3-methylbut-3-enyl)pyrazole has a molecular weight of 172.18 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluoro-3-methylbut-3-enyl)pyrazole is sourced from PubChem (CID 155933446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).