4-fluoro-2,5-dimethyl-3H-pyrazole-4-carboxylic acid

C6H9FN2O2 — CID 174718984

IUPAC4-fluoro-2,5-dimethyl-3H-pyrazole-4-carboxylic acid
SMILESCC1=NN(C)CC1(F)C(=O)O
InChIInChI=1S/C6H9FN2O2/c1-4-6(7,5(10)11)3-9(2)8-4/h3H2,1-2H3,(H,10,11)
InChIKeyYOZLZHLGTHNUBL-UHFFFAOYSA-N
MW160.15 g/mol
LogP0.10
Rot. Bonds1

About 4-fluoro-2,5-dimethyl-3H-pyrazole-4-carboxylic acid

4-fluoro-2,5-dimethyl-3H-pyrazole-4-carboxylic acid (PubChem CID 174718984) has the molecular formula C6H9FN2O2 and a molecular weight of 160.15 g/mol. Its IUPAC name is 4-fluoro-2,5-dimethyl-3H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name4-fluoro-2,5-dimethyl-3H-pyrazole-4-carboxylic acid
PubChem CID174718984
Molecular FormulaC6H9FN2O2
Molecular Weight160.15 g/mol
Exact Mass160.06
IUPAC Name4-fluoro-2,5-dimethyl-3H-pyrazole-4-carboxylic acid
SMILESCC1=NN(C)CC1(F)C(=O)O
InChIInChI=1S/C6H9FN2O2/c1-4-6(7,5(10)11)3-9(2)8-4/h3H2,1-2H3,(H,10,11)
InChIKeyYOZLZHLGTHNUBL-UHFFFAOYSA-N
XLogP0.10
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.15
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2,5-dimethyl-3H-pyrazole-4-carboxylic acid?
The IUPAC name of 4-fluoro-2,5-dimethyl-3H-pyrazole-4-carboxylic acid (CID 174718984) is 4-fluoro-2,5-dimethyl-3H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 4-fluoro-2,5-dimethyl-3H-pyrazole-4-carboxylic acid?
The canonical SMILES for 4-fluoro-2,5-dimethyl-3H-pyrazole-4-carboxylic acid is CC1=NN(C)CC1(F)C(=O)O.
What is the InChIKey of 4-fluoro-2,5-dimethyl-3H-pyrazole-4-carboxylic acid?
The InChIKey is YOZLZHLGTHNUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FN2O2/c1-4-6(7,5(10)11)3-9(2)8-4/h3H2,1-2H3,(H,10,11).
What are the key properties of 4-fluoro-2,5-dimethyl-3H-pyrazole-4-carboxylic acid?
4-fluoro-2,5-dimethyl-3H-pyrazole-4-carboxylic acid has a molecular weight of 160.15 g/mol, XLogP of 0.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2,5-dimethyl-3H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 174718984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).