1-fluoro-5-methylpyrazole

C4H5FN2 — CID 123447969

IUPAC1-fluoro-5-methylpyrazole
SMILESCc1ccnn1F
InChIInChI=1S/C4H5FN2/c1-4-2-3-6-7(4)5/h2-3H,1H3
InChIKeyZWJWRNUDGKPTTO-UHFFFAOYSA-N
MW100.10 g/mol
LogP0.92
Rot. Bonds

About 1-fluoro-5-methylpyrazole

1-fluoro-5-methylpyrazole (PubChem CID 123447969) has the molecular formula C4H5FN2 and a molecular weight of 100.10 g/mol. Its IUPAC name is 1-fluoro-5-methylpyrazole.

Molecular Properties

Compound Name1-fluoro-5-methylpyrazole
PubChem CID123447969
Molecular FormulaC4H5FN2
Molecular Weight100.10 g/mol
Exact Mass100.04
IUPAC Name1-fluoro-5-methylpyrazole
SMILESCc1ccnn1F
InChIInChI=1S/C4H5FN2/c1-4-2-3-6-7(4)5/h2-3H,1H3
InChIKeyZWJWRNUDGKPTTO-UHFFFAOYSA-N
XLogP0.92
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 ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

S-(5-methylpyrazol-1-yl)thiohydroxylamine
CID 87740272
5-methyl-1-(4-methylphenyl)pyrazole
CID 53302146
5-methylpyrazole-1-carboxylic acid
CID 67484310
butane;1,5-dimethylpyrazole;ethane
CID 142280941
5-methyl-1-(trifluoromethylsulfonyl)pyrazole
CID 141175923
ethane;N-methyl-2-(5-methylpyrazol-1-yl)ethanamine
CID 156847760
1-(2,2-dimethylpropyl)-5-methylpyrazole
CID 11858722
1-[(4-fluorophenyl)methyl]-5-methylpyrazole
CID 63278751
1-(azetidin-3-yl)-5-methylpyrazole
CID 84731114
2-(5-methylpyrazol-1-yl)acetic acid
CID 7018400
2-methyl-2-(5-methylpyrazol-1-yl)propan-1-amine
CID 84731299
1-(2,6-dichlorophenyl)-5-methylpyrazole
CID 91245761

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-5-methylpyrazole?
The IUPAC name of 1-fluoro-5-methylpyrazole (CID 123447969) is 1-fluoro-5-methylpyrazole.
What is the SMILES notation for 1-fluoro-5-methylpyrazole?
The canonical SMILES for 1-fluoro-5-methylpyrazole is Cc1ccnn1F.
What is the InChIKey of 1-fluoro-5-methylpyrazole?
The InChIKey is ZWJWRNUDGKPTTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5FN2/c1-4-2-3-6-7(4)5/h2-3H,1H3.
What are the key properties of 1-fluoro-5-methylpyrazole?
1-fluoro-5-methylpyrazole has a molecular weight of 100.10 g/mol, XLogP of 0.92, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-5-methylpyrazole is sourced from PubChem (CID 123447969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).