5-fluoro-1,3-dimethylpyrazole-4-carboxylic acid

C6H7FN2O2 — CID 11367149

IUPAC5-fluoro-1,3-dimethylpyrazole-4-carboxylic acid
SMILESCc1nn(C)c(F)c1C(=O)O
InChIInChI=1S/C6H7FN2O2/c1-3-4(6(10)11)5(7)9(2)8-3/h1-2H3,(H,10,11)
InChIKeyHTMQNNFTTWLPIE-UHFFFAOYSA-N
MW158.13 g/mol
LogP0.57
Rot. Bonds1

About 5-fluoro-1,3-dimethylpyrazole-4-carboxylic acid

5-fluoro-1,3-dimethylpyrazole-4-carboxylic acid (PubChem CID 11367149) has the molecular formula C6H7FN2O2 and a molecular weight of 158.13 g/mol. Its IUPAC name is 5-fluoro-1,3-dimethylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-fluoro-1,3-dimethylpyrazole-4-carboxylic acid
PubChem CID11367149
Molecular FormulaC6H7FN2O2
Molecular Weight158.13 g/mol
Exact Mass158.05
IUPAC Name5-fluoro-1,3-dimethylpyrazole-4-carboxylic acid
SMILESCc1nn(C)c(F)c1C(=O)O
InChIInChI=1S/C6H7FN2O2/c1-3-4(6(10)11)5(7)9(2)8-3/h1-2H3,(H,10,11)
InChIKeyHTMQNNFTTWLPIE-UHFFFAOYSA-N
XLogP0.57
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.13
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
CID 2775665
3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid
CID 18983008
1,3,5-trimethyl-1H-pyrazole-4-carboxylic acid
CID 736514
5-chloro-3-methyl-1-(2-methylpropyl)-1H-pyrazole-4-carboxylic acid
CID 2546095
1-butyl-5-chloro-3-methyl-1H-pyrazole-4-carboxylic acid
CID 3791012
1,5-Dimethyl-1H-pyrazole-4-carboxylic acid
CID 1273303
1,3-dimethyl-1H-pyrazole-4-carboxylic acid
CID 1273304
5-Methyl-1-propyl-1H-pyrazole-4-carboxylic acid
CID 646418
1-Methyl-5-(trifluoromethyl)pyrazole-4-carboxylic Acid
CID 2807771
1-Ethyl-3,5-dimethyl-1H-pyrazole-4-carboxylic acid
CID 1133641
1-Ethyl-3-methyl-1H-pyrazole-4-carboxylic acid
CID 1075881
1-ethyl-5-methyl-1H-pyrazole-4-carboxylic acid
CID 1075882

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1,3-dimethylpyrazole-4-carboxylic acid?
The IUPAC name of 5-fluoro-1,3-dimethylpyrazole-4-carboxylic acid (CID 11367149) is 5-fluoro-1,3-dimethylpyrazole-4-carboxylic acid.
What is the SMILES notation for 5-fluoro-1,3-dimethylpyrazole-4-carboxylic acid?
The canonical SMILES for 5-fluoro-1,3-dimethylpyrazole-4-carboxylic acid is Cc1nn(C)c(F)c1C(=O)O.
What is the InChIKey of 5-fluoro-1,3-dimethylpyrazole-4-carboxylic acid?
The InChIKey is HTMQNNFTTWLPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7FN2O2/c1-3-4(6(10)11)5(7)9(2)8-3/h1-2H3,(H,10,11).
What are the key properties of 5-fluoro-1,3-dimethylpyrazole-4-carboxylic acid?
5-fluoro-1,3-dimethylpyrazole-4-carboxylic acid has a molecular weight of 158.13 g/mol, XLogP of 0.57, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1,3-dimethylpyrazole-4-carboxylic acid is sourced from PubChem (CID 11367149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).