5-fluoro-1-methylpyrazole-3-carboxylic acid

C5H5FN2O2 — CID 105428587

IUPAC5-fluoro-1-methylpyrazole-3-carboxylic acid
SMILESCn1nc(C(=O)O)cc1F
InChIInChI=1S/C5H5FN2O2/c1-8-4(6)2-3(7-8)5(9)10/h2H,1H3,(H,9,10)
InChIKeyVDXUCVYJBQCWMK-UHFFFAOYSA-N
MW144.10 g/mol
LogP0.26
Rot. Bonds1

About 5-fluoro-1-methylpyrazole-3-carboxylic acid

5-fluoro-1-methylpyrazole-3-carboxylic acid (PubChem CID 105428587) has the molecular formula C5H5FN2O2 and a molecular weight of 144.10 g/mol. Its IUPAC name is 5-fluoro-1-methylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-fluoro-1-methylpyrazole-3-carboxylic acid
PubChem CID105428587
Molecular FormulaC5H5FN2O2
Molecular Weight144.10 g/mol
Exact Mass144.03
IUPAC Name5-fluoro-1-methylpyrazole-3-carboxylic acid
SMILESCn1nc(C(=O)O)cc1F
InChIInChI=1S/C5H5FN2O2/c1-8-4(6)2-3(7-8)5(9)10/h2H,1H3,(H,9,10)
InChIKeyVDXUCVYJBQCWMK-UHFFFAOYSA-N
XLogP0.26
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.10
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-1H-pyrazole-5-carboxylic acid
CID 643158
1-Methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid
CID 606540
1-Ethyl-3-methyl-1H-pyrazole-5-carboxylic acid
CID 2743794
1,3-Dimethyl-1H-pyrazole-5-carboxylic acid
CID 587721
3-chloro-1-methyl-1H-pyrazole-5-carboxylic acid
CID 18970459
1-Ethyl-1H-pyrazole-5-carboxylic acid
CID 565702
1-methyl-1H-pyrazole-3-carboxylic acid
CID 573176
1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxylic acid
CID 1229838
1-(difluoromethyl)-1H-pyrazole-5-carboxylic acid
CID 3154179
1,5-dimethyl-1H-pyrazole-3-carboxylic acid
CID 587757
1-(propan-2-yl)-1H-pyrazole-5-carboxylic acid
CID 3150947
1-(Difluoromethyl)-1H-pyrazole-3-carboxylic acid
CID 3154178

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-methylpyrazole-3-carboxylic acid?
The IUPAC name of 5-fluoro-1-methylpyrazole-3-carboxylic acid (CID 105428587) is 5-fluoro-1-methylpyrazole-3-carboxylic acid.
What is the SMILES notation for 5-fluoro-1-methylpyrazole-3-carboxylic acid?
The canonical SMILES for 5-fluoro-1-methylpyrazole-3-carboxylic acid is Cn1nc(C(=O)O)cc1F.
What is the InChIKey of 5-fluoro-1-methylpyrazole-3-carboxylic acid?
The InChIKey is VDXUCVYJBQCWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5FN2O2/c1-8-4(6)2-3(7-8)5(9)10/h2H,1H3,(H,9,10).
What are the key properties of 5-fluoro-1-methylpyrazole-3-carboxylic acid?
5-fluoro-1-methylpyrazole-3-carboxylic acid has a molecular weight of 144.10 g/mol, XLogP of 0.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-methylpyrazole-3-carboxylic acid is sourced from PubChem (CID 105428587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).