5-(difluoromethyl)-3,3-difluoro-2-methyl-1H-pyrazole

C5H6F4N2 — CID 175836408

IUPAC5-(difluoromethyl)-3,3-difluoro-2-methyl-1H-pyrazole
SMILESCN1NC(C(F)F)=CC1(F)F
InChIInChI=1S/C5H6F4N2/c1-11-5(8,9)2-3(10-11)4(6)7/h2,4,10H,1H3
InChIKeyZQDXUSYGEHXYSR-UHFFFAOYSA-N
MW170.11 g/mol
LogP1.18
Rot. Bonds1

About 5-(difluoromethyl)-3,3-difluoro-2-methyl-1H-pyrazole

5-(difluoromethyl)-3,3-difluoro-2-methyl-1H-pyrazole (PubChem CID 175836408) has the molecular formula C5H6F4N2 and a molecular weight of 170.11 g/mol. Its IUPAC name is 5-(difluoromethyl)-3,3-difluoro-2-methyl-1H-pyrazole.

Molecular Properties

Compound Name5-(difluoromethyl)-3,3-difluoro-2-methyl-1H-pyrazole
PubChem CID175836408
Molecular FormulaC5H6F4N2
Molecular Weight170.11 g/mol
Exact Mass170.05
IUPAC Name5-(difluoromethyl)-3,3-difluoro-2-methyl-1H-pyrazole
SMILESCN1NC(C(F)F)=CC1(F)F
InChIInChI=1S/C5H6F4N2/c1-11-5(8,9)2-3(10-11)4(6)7/h2,4,10H,1H3
InChIKeyZQDXUSYGEHXYSR-UHFFFAOYSA-N
XLogP1.18
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.11
LogP ≤ 51.18
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 5-(difluoromethyl)-3,3-difluoro-2-methyl-1H-pyrazole?
The IUPAC name of 5-(difluoromethyl)-3,3-difluoro-2-methyl-1H-pyrazole (CID 175836408) is 5-(difluoromethyl)-3,3-difluoro-2-methyl-1H-pyrazole.
What is the SMILES notation for 5-(difluoromethyl)-3,3-difluoro-2-methyl-1H-pyrazole?
The canonical SMILES for 5-(difluoromethyl)-3,3-difluoro-2-methyl-1H-pyrazole is CN1NC(C(F)F)=CC1(F)F.
What is the InChIKey of 5-(difluoromethyl)-3,3-difluoro-2-methyl-1H-pyrazole?
The InChIKey is ZQDXUSYGEHXYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F4N2/c1-11-5(8,9)2-3(10-11)4(6)7/h2,4,10H,1H3.
What are the key properties of 5-(difluoromethyl)-3,3-difluoro-2-methyl-1H-pyrazole?
5-(difluoromethyl)-3,3-difluoro-2-methyl-1H-pyrazole has a molecular weight of 170.11 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-3,3-difluoro-2-methyl-1H-pyrazole is sourced from PubChem (CID 175836408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).