3,4-difluoro-5-methyl-1H-pyrazole

C4H4F2N2 — CID 14849321

IUPAC3,4-difluoro-5-methyl-1H-pyrazole
SMILESCc1[nH]nc(F)c1F
InChIInChI=1S/C4H4F2N2/c1-2-3(5)4(6)8-7-2/h1H3,(H,7,8)
InChIKeySVRNGBXWEJZIQK-UHFFFAOYSA-N
MW118.09 g/mol
LogP1.00
Rot. Bonds

About 3,4-difluoro-5-methyl-1H-pyrazole

3,4-difluoro-5-methyl-1H-pyrazole (PubChem CID 14849321) has the molecular formula C4H4F2N2 and a molecular weight of 118.09 g/mol. Its IUPAC name is 3,4-difluoro-5-methyl-1H-pyrazole.

Molecular Properties

Compound Name3,4-difluoro-5-methyl-1H-pyrazole
PubChem CID14849321
Molecular FormulaC4H4F2N2
Molecular Weight118.09 g/mol
Exact Mass118.03
IUPAC Name3,4-difluoro-5-methyl-1H-pyrazole
SMILESCc1[nH]nc(F)c1F
InChIInChI=1S/C4H4F2N2/c1-2-3(5)4(6)8-7-2/h1H3,(H,7,8)
InChIKeySVRNGBXWEJZIQK-UHFFFAOYSA-N
XLogP1.00
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.09
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-5-methyl-1H-pyrazole?
The IUPAC name of 3,4-difluoro-5-methyl-1H-pyrazole (CID 14849321) is 3,4-difluoro-5-methyl-1H-pyrazole.
What is the SMILES notation for 3,4-difluoro-5-methyl-1H-pyrazole?
The canonical SMILES for 3,4-difluoro-5-methyl-1H-pyrazole is Cc1[nH]nc(F)c1F.
What is the InChIKey of 3,4-difluoro-5-methyl-1H-pyrazole?
The InChIKey is SVRNGBXWEJZIQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F2N2/c1-2-3(5)4(6)8-7-2/h1H3,(H,7,8).
What are the key properties of 3,4-difluoro-5-methyl-1H-pyrazole?
3,4-difluoro-5-methyl-1H-pyrazole has a molecular weight of 118.09 g/mol, XLogP of 1.00, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-5-methyl-1H-pyrazole is sourced from PubChem (CID 14849321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).