1-fluoropyrazole-4-carboxylic acid

C4H3FN2O2 — CID 89478516

IUPAC1-fluoropyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(F)c1
InChIInChI=1S/C4H3FN2O2/c5-7-2-3(1-6-7)4(8)9/h1-2H,(H,8,9)
InChIKeyYWDCPZZLRGAQKZ-UHFFFAOYSA-N
MW130.08 g/mol
LogP0.31
Rot. Bonds1

About 1-fluoropyrazole-4-carboxylic acid

1-fluoropyrazole-4-carboxylic acid (PubChem CID 89478516) has the molecular formula C4H3FN2O2 and a molecular weight of 130.08 g/mol. Its IUPAC name is 1-fluoropyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-fluoropyrazole-4-carboxylic acid
PubChem CID89478516
Molecular FormulaC4H3FN2O2
Molecular Weight130.08 g/mol
Exact Mass130.02
IUPAC Name1-fluoropyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(F)c1
InChIInChI=1S/C4H3FN2O2/c5-7-2-3(1-6-7)4(8)9/h1-2H,(H,8,9)
InChIKeyYWDCPZZLRGAQKZ-UHFFFAOYSA-N
XLogP0.31
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.08
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(trideuteriomethyl)pyrazole-4-carboxylic acid
CID 167738490
1-(2,2-difluoropropyl)pyrazole-4-carboxylic acid
CID 84662382
1-(cyanomethyl)pyrazole-4-carboxylic acid
CID 43565339
1-(3-hydroxycyclopentyl)pyrazole-4-carboxylic acid
CID 84733356
1-butan-2-ylpyrazole-4-carboxylic acid
CID 61272060
1-(3,3-dimethyl-2-oxobutyl)pyrazole-4-carboxylic acid
CID 121200111
1-(4-bromophenyl)pyrazole-4-carboxylic acid
CID 11601417
1-[(E)-but-2-enyl]pyrazole-4-carboxylic acid
CID 43565379
1-[(1R,2R)-2-hydroxycyclohexyl]pyrazole-4-carboxylic acid
CID 94560602
1-[(Z)-3-chloro-2-methylprop-2-enyl]pyrazole-4-carboxylic acid
CID 106438903
1-(2-methylidenebutyl)pyrazole-4-carboxylic acid
CID 66045018
1-(4-bromo-3-fluorophenyl)pyrazole-4-carboxylic acid
CID 130121157

Frequently Asked Questions

What is the IUPAC name of 1-fluoropyrazole-4-carboxylic acid?
The IUPAC name of 1-fluoropyrazole-4-carboxylic acid (CID 89478516) is 1-fluoropyrazole-4-carboxylic acid.
What is the SMILES notation for 1-fluoropyrazole-4-carboxylic acid?
The canonical SMILES for 1-fluoropyrazole-4-carboxylic acid is O=C(O)c1cnn(F)c1.
What is the InChIKey of 1-fluoropyrazole-4-carboxylic acid?
The InChIKey is YWDCPZZLRGAQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3FN2O2/c5-7-2-3(1-6-7)4(8)9/h1-2H,(H,8,9).
What are the key properties of 1-fluoropyrazole-4-carboxylic acid?
1-fluoropyrazole-4-carboxylic acid has a molecular weight of 130.08 g/mol, XLogP of 0.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoropyrazole-4-carboxylic acid is sourced from PubChem (CID 89478516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).