3-(difluoromethyl)-4-ethenyl-1-methylpyrazole

C7H8F2N2 — CID 59499487

IUPAC3-(difluoromethyl)-4-ethenyl-1-methylpyrazole
SMILESC=Cc1cn(C)nc1C(F)F
InChIInChI=1S/C7H8F2N2/c1-3-5-4-11(2)10-6(5)7(8)9/h3-4,7H,1H2,2H3
InChIKeyGNZFGFREEPTCMY-UHFFFAOYSA-N
MW158.15 g/mol
LogP2.00
Rot. Bonds2

About 3-(difluoromethyl)-4-ethenyl-1-methylpyrazole

3-(difluoromethyl)-4-ethenyl-1-methylpyrazole (PubChem CID 59499487) has the molecular formula C7H8F2N2 and a molecular weight of 158.15 g/mol. Its IUPAC name is 3-(difluoromethyl)-4-ethenyl-1-methylpyrazole.

Molecular Properties

Compound Name3-(difluoromethyl)-4-ethenyl-1-methylpyrazole
PubChem CID59499487
Molecular FormulaC7H8F2N2
Molecular Weight158.15 g/mol
Exact Mass158.07
IUPAC Name3-(difluoromethyl)-4-ethenyl-1-methylpyrazole
SMILESC=Cc1cn(C)nc1C(F)F
InChIInChI=1S/C7H8F2N2/c1-3-5-4-11(2)10-6(5)7(8)9/h3-4,7H,1H2,2H3
InChIKeyGNZFGFREEPTCMY-UHFFFAOYSA-N
XLogP2.00
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.15
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-4-ethenyl-1-methylpyrazole?
The IUPAC name of 3-(difluoromethyl)-4-ethenyl-1-methylpyrazole (CID 59499487) is 3-(difluoromethyl)-4-ethenyl-1-methylpyrazole.
What is the SMILES notation for 3-(difluoromethyl)-4-ethenyl-1-methylpyrazole?
The canonical SMILES for 3-(difluoromethyl)-4-ethenyl-1-methylpyrazole is C=Cc1cn(C)nc1C(F)F.
What is the InChIKey of 3-(difluoromethyl)-4-ethenyl-1-methylpyrazole?
The InChIKey is GNZFGFREEPTCMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2/c1-3-5-4-11(2)10-6(5)7(8)9/h3-4,7H,1H2,2H3.
What are the key properties of 3-(difluoromethyl)-4-ethenyl-1-methylpyrazole?
3-(difluoromethyl)-4-ethenyl-1-methylpyrazole has a molecular weight of 158.15 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-4-ethenyl-1-methylpyrazole is sourced from PubChem (CID 59499487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).