5-(fluoromethyl)-1H-pyrazole

C4H5FN2 — CID 19779922

IUPAC5-(fluoromethyl)-1H-pyrazole
SMILESFCc1ccn[nH]1
InChIInChI=1S/C4H5FN2/c5-3-4-1-2-6-7-4/h1-2H,3H2,(H,6,7)
InChIKeyZZOBBUZBJUXLJV-UHFFFAOYSA-N
MW100.10 g/mol
LogP0.88
Rot. Bonds1

About 5-(fluoromethyl)-1H-pyrazole

5-(fluoromethyl)-1H-pyrazole (PubChem CID 19779922) has the molecular formula C4H5FN2 and a molecular weight of 100.10 g/mol. Its IUPAC name is 5-(fluoromethyl)-1H-pyrazole.

Molecular Properties

Compound Name5-(fluoromethyl)-1H-pyrazole
PubChem CID19779922
Molecular FormulaC4H5FN2
Molecular Weight100.10 g/mol
Exact Mass100.04
IUPAC Name5-(fluoromethyl)-1H-pyrazole
SMILESFCc1ccn[nH]1
InChIInChI=1S/C4H5FN2/c5-3-4-1-2-6-7-4/h1-2H,3H2,(H,6,7)
InChIKeyZZOBBUZBJUXLJV-UHFFFAOYSA-N
XLogP0.88
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.10
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Betazole
CID 7741
3-Methylpyrazole
CID 15073
3,4-dimethyl-1H-pyrazole
CID 137735
4-Iodo-5-methyl-1H-pyrazole
CID 15501143
3-propyl-1H-pyrazole
CID 201990
5-ethynyl-1H-pyrazole
CID 54014389
3-ethyl-1H-pyrazole
CID 498459
3-(Trifluoromethyl)pyrazole
CID 1807034
3-methyl-1H-pyrazol-4-amine
CID 5200289
1H-Pyrazole-5-carbonitrile
CID 12921228
3-(Chloromethyl)-1H-pyrazole
CID 13334799
3-Ethenyl-1H-pyrazole
CID 565051

Frequently Asked Questions

What is the IUPAC name of 5-(fluoromethyl)-1H-pyrazole?
The IUPAC name of 5-(fluoromethyl)-1H-pyrazole (CID 19779922) is 5-(fluoromethyl)-1H-pyrazole.
What is the SMILES notation for 5-(fluoromethyl)-1H-pyrazole?
The canonical SMILES for 5-(fluoromethyl)-1H-pyrazole is FCc1ccn[nH]1.
What is the InChIKey of 5-(fluoromethyl)-1H-pyrazole?
The InChIKey is ZZOBBUZBJUXLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5FN2/c5-3-4-1-2-6-7-4/h1-2H,3H2,(H,6,7).
What are the key properties of 5-(fluoromethyl)-1H-pyrazole?
5-(fluoromethyl)-1H-pyrazole has a molecular weight of 100.10 g/mol, XLogP of 0.88, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(fluoromethyl)-1H-pyrazole is sourced from PubChem (CID 19779922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).