4,5-difluoro-2-methyl-1,5-dihydropyrazole

C4H6F2N2 — CID 91500334

IUPAC4,5-difluoro-2-methyl-1,5-dihydropyrazole
SMILESCN1C=C(F)C(F)N1
InChIInChI=1S/C4H6F2N2/c1-8-2-3(5)4(6)7-8/h2,4,7H,1H3
InChIKeyJIGSMESIZNGYAO-UHFFFAOYSA-N
MW120.10 g/mol
LogP0.54
Rot. Bonds

About 4,5-difluoro-2-methyl-1,5-dihydropyrazole

4,5-difluoro-2-methyl-1,5-dihydropyrazole (PubChem CID 91500334) has the molecular formula C4H6F2N2 and a molecular weight of 120.10 g/mol. Its IUPAC name is 4,5-difluoro-2-methyl-1,5-dihydropyrazole.

Molecular Properties

Compound Name4,5-difluoro-2-methyl-1,5-dihydropyrazole
PubChem CID91500334
Molecular FormulaC4H6F2N2
Molecular Weight120.10 g/mol
Exact Mass120.05
IUPAC Name4,5-difluoro-2-methyl-1,5-dihydropyrazole
SMILESCN1C=C(F)C(F)N1
InChIInChI=1S/C4H6F2N2/c1-8-2-3(5)4(6)7-8/h2,4,7H,1H3
InChIKeyJIGSMESIZNGYAO-UHFFFAOYSA-N
XLogP0.54
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.10
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,5-difluoro-2-methyl-1,5-dihydropyrazole?
The IUPAC name of 4,5-difluoro-2-methyl-1,5-dihydropyrazole (CID 91500334) is 4,5-difluoro-2-methyl-1,5-dihydropyrazole.
What is the SMILES notation for 4,5-difluoro-2-methyl-1,5-dihydropyrazole?
The canonical SMILES for 4,5-difluoro-2-methyl-1,5-dihydropyrazole is CN1C=C(F)C(F)N1.
What is the InChIKey of 4,5-difluoro-2-methyl-1,5-dihydropyrazole?
The InChIKey is JIGSMESIZNGYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F2N2/c1-8-2-3(5)4(6)7-8/h2,4,7H,1H3.
What are the key properties of 4,5-difluoro-2-methyl-1,5-dihydropyrazole?
4,5-difluoro-2-methyl-1,5-dihydropyrazole has a molecular weight of 120.10 g/mol, XLogP of 0.54, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-difluoro-2-methyl-1,5-dihydropyrazole is sourced from PubChem (CID 91500334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).