2-(difluoromethyl)-5-methyl-3,4-dihydropyrazole

C5H8F2N2 — CID 89130088

IUPAC2-(difluoromethyl)-5-methyl-3,4-dihydropyrazole
SMILESCC1=NN(C(F)F)CC1
InChIInChI=1S/C5H8F2N2/c1-4-2-3-9(8-4)5(6)7/h5H,2-3H2,1H3
InChIKeyUFTICUWOOLOZCD-UHFFFAOYSA-N
MW134.13 g/mol
LogP1.29
Rot. Bonds1

About 2-(difluoromethyl)-5-methyl-3,4-dihydropyrazole

2-(difluoromethyl)-5-methyl-3,4-dihydropyrazole (PubChem CID 89130088) has the molecular formula C5H8F2N2 and a molecular weight of 134.13 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-methyl-3,4-dihydropyrazole.

Molecular Properties

Compound Name2-(difluoromethyl)-5-methyl-3,4-dihydropyrazole
PubChem CID89130088
Molecular FormulaC5H8F2N2
Molecular Weight134.13 g/mol
Exact Mass134.07
IUPAC Name2-(difluoromethyl)-5-methyl-3,4-dihydropyrazole
SMILESCC1=NN(C(F)F)CC1
InChIInChI=1S/C5H8F2N2/c1-4-2-3-9(8-4)5(6)7/h5H,2-3H2,1H3
InChIKeyUFTICUWOOLOZCD-UHFFFAOYSA-N
XLogP1.29
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.13
LogP ≤ 51.29
H-Bond Donors ≤ 50
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 2-(difluoromethyl)-5-methyl-3,4-dihydropyrazole?
The IUPAC name of 2-(difluoromethyl)-5-methyl-3,4-dihydropyrazole (CID 89130088) is 2-(difluoromethyl)-5-methyl-3,4-dihydropyrazole.
What is the SMILES notation for 2-(difluoromethyl)-5-methyl-3,4-dihydropyrazole?
The canonical SMILES for 2-(difluoromethyl)-5-methyl-3,4-dihydropyrazole is CC1=NN(C(F)F)CC1.
What is the InChIKey of 2-(difluoromethyl)-5-methyl-3,4-dihydropyrazole?
The InChIKey is UFTICUWOOLOZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2N2/c1-4-2-3-9(8-4)5(6)7/h5H,2-3H2,1H3.
What are the key properties of 2-(difluoromethyl)-5-methyl-3,4-dihydropyrazole?
2-(difluoromethyl)-5-methyl-3,4-dihydropyrazole has a molecular weight of 134.13 g/mol, XLogP of 1.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-methyl-3,4-dihydropyrazole is sourced from PubChem (CID 89130088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).