4-fluoro-1-methylpyrazole

C4H5FN2 — CID 11007826

IUPAC4-fluoro-1-methylpyrazole
SMILESCn1cc(F)cn1
InChIInChI=1S/C4H5FN2/c1-7-3-4(5)2-6-7/h2-3H,1H3
InChIKeyFSOOSGIZMQWMPQ-UHFFFAOYSA-N
MW100.10 g/mol
LogP0.56
Rot. Bonds

About 4-fluoro-1-methylpyrazole

4-fluoro-1-methylpyrazole (PubChem CID 11007826) has the molecular formula C4H5FN2 and a molecular weight of 100.10 g/mol. Its IUPAC name is 4-fluoro-1-methylpyrazole.

Molecular Properties

Compound Name4-fluoro-1-methylpyrazole
PubChem CID11007826
Molecular FormulaC4H5FN2
Molecular Weight100.10 g/mol
Exact Mass100.04
IUPAC Name4-fluoro-1-methylpyrazole
SMILESCn1cc(F)cn1
InChIInChI=1S/C4H5FN2/c1-7-3-4(5)2-6-7/h2-3H,1H3
InChIKeyFSOOSGIZMQWMPQ-UHFFFAOYSA-N
XLogP0.56
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.10
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,2,2-trifluoroethyl)-1H-pyrazole
CID 22747510
1H-Pyrazole, 1-methyl-
CID 70255
1,4-Dimethylpyrazole
CID 136836
1H-Pyrazole, 4-bromo-1-methyl-
CID 167433
1-Ethylpyrazole
CID 498446
1-Methyl-4-iodo-1H-pyrazole
CID 2734773
1-ethenyl-1H-pyrazole
CID 6420997
4-Bromo-1-ethyl-1H-pyrazole
CID 12565201
1-Propyl-1H-pyrazole
CID 12711096
4-Bromo-1-vinyl-1H-pyrazole
CID 13498184
4-chloro-1-methyl-1H-pyrazole
CID 13844024
4-Ethynyl-1-methyl-1H-pyrazole
CID 51138321

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-methylpyrazole?
The IUPAC name of 4-fluoro-1-methylpyrazole (CID 11007826) is 4-fluoro-1-methylpyrazole.
What is the SMILES notation for 4-fluoro-1-methylpyrazole?
The canonical SMILES for 4-fluoro-1-methylpyrazole is Cn1cc(F)cn1.
What is the InChIKey of 4-fluoro-1-methylpyrazole?
The InChIKey is FSOOSGIZMQWMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5FN2/c1-7-3-4(5)2-6-7/h2-3H,1H3.
What are the key properties of 4-fluoro-1-methylpyrazole?
4-fluoro-1-methylpyrazole has a molecular weight of 100.10 g/mol, XLogP of 0.56, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-methylpyrazole is sourced from PubChem (CID 11007826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).