4-fluoro-5-methyl-1H-pyrazole

C4H5FN2 — CID 18413344

IUPAC4-fluoro-5-methyl-1H-pyrazole
SMILESCc1[nH]ncc1F
InChIInChI=1S/C4H5FN2/c1-3-4(5)2-6-7-3/h2H,1H3,(H,6,7)
InChIKeyOFPLNBAFXLMBEM-UHFFFAOYSA-N
MW100.10 g/mol
LogP0.86
Rot. Bonds

About 4-fluoro-5-methyl-1H-pyrazole

4-fluoro-5-methyl-1H-pyrazole (PubChem CID 18413344) has the molecular formula C4H5FN2 and a molecular weight of 100.10 g/mol. Its IUPAC name is 4-fluoro-5-methyl-1H-pyrazole.

Molecular Properties

Compound Name4-fluoro-5-methyl-1H-pyrazole
PubChem CID18413344
Molecular FormulaC4H5FN2
Molecular Weight100.10 g/mol
Exact Mass100.04
IUPAC Name4-fluoro-5-methyl-1H-pyrazole
SMILESCc1[nH]ncc1F
InChIInChI=1S/C4H5FN2/c1-3-4(5)2-6-7-3/h2H,1H3,(H,6,7)
InChIKeyOFPLNBAFXLMBEM-UHFFFAOYSA-N
XLogP0.86
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.10
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-methyl-1H-pyrazole?
The IUPAC name of 4-fluoro-5-methyl-1H-pyrazole (CID 18413344) is 4-fluoro-5-methyl-1H-pyrazole.
What is the SMILES notation for 4-fluoro-5-methyl-1H-pyrazole?
The canonical SMILES for 4-fluoro-5-methyl-1H-pyrazole is Cc1[nH]ncc1F.
What is the InChIKey of 4-fluoro-5-methyl-1H-pyrazole?
The InChIKey is OFPLNBAFXLMBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5FN2/c1-3-4(5)2-6-7-3/h2H,1H3,(H,6,7).
What are the key properties of 4-fluoro-5-methyl-1H-pyrazole?
4-fluoro-5-methyl-1H-pyrazole has a molecular weight of 100.10 g/mol, XLogP of 0.86, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-methyl-1H-pyrazole is sourced from PubChem (CID 18413344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).