3-(difluoromethyl)-1-pyrazin-2-ylpyrazole-4-carboxylic acid

C9H6F2N4O2 — CID 146381604

IUPAC3-(difluoromethyl)-1-pyrazin-2-ylpyrazole-4-carboxylic acid
SMILESO=C(O)c1cn(-c2cnccn2)nc1C(F)F
InChIInChI=1S/C9H6F2N4O2/c10-8(11)7-5(9(16)17)4-15(14-7)6-3-12-1-2-13-6/h1-4,8H,(H,16,17)
InChIKeyJORMCNDJWQGUQN-UHFFFAOYSA-N
MW240.17 g/mol
LogP1.30
Rot. Bonds3

About 3-(difluoromethyl)-1-pyrazin-2-ylpyrazole-4-carboxylic acid

3-(difluoromethyl)-1-pyrazin-2-ylpyrazole-4-carboxylic acid (PubChem CID 146381604) has the molecular formula C9H6F2N4O2 and a molecular weight of 240.17 g/mol. Its IUPAC name is 3-(difluoromethyl)-1-pyrazin-2-ylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name3-(difluoromethyl)-1-pyrazin-2-ylpyrazole-4-carboxylic acid
PubChem CID146381604
Molecular FormulaC9H6F2N4O2
Molecular Weight240.17 g/mol
Exact Mass240.05
IUPAC Name3-(difluoromethyl)-1-pyrazin-2-ylpyrazole-4-carboxylic acid
SMILESO=C(O)c1cn(-c2cnccn2)nc1C(F)F
InChIInChI=1S/C9H6F2N4O2/c10-8(11)7-5(9(16)17)4-15(14-7)6-3-12-1-2-13-6/h1-4,8H,(H,16,17)
InChIKeyJORMCNDJWQGUQN-UHFFFAOYSA-N
XLogP1.30
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.17
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-1-pyrazin-2-ylpyrazole-4-carboxylic acid?
The IUPAC name of 3-(difluoromethyl)-1-pyrazin-2-ylpyrazole-4-carboxylic acid (CID 146381604) is 3-(difluoromethyl)-1-pyrazin-2-ylpyrazole-4-carboxylic acid.
What is the SMILES notation for 3-(difluoromethyl)-1-pyrazin-2-ylpyrazole-4-carboxylic acid?
The canonical SMILES for 3-(difluoromethyl)-1-pyrazin-2-ylpyrazole-4-carboxylic acid is O=C(O)c1cn(-c2cnccn2)nc1C(F)F.
What is the InChIKey of 3-(difluoromethyl)-1-pyrazin-2-ylpyrazole-4-carboxylic acid?
The InChIKey is JORMCNDJWQGUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F2N4O2/c10-8(11)7-5(9(16)17)4-15(14-7)6-3-12-1-2-13-6/h1-4,8H,(H,16,17).
What are the key properties of 3-(difluoromethyl)-1-pyrazin-2-ylpyrazole-4-carboxylic acid?
3-(difluoromethyl)-1-pyrazin-2-ylpyrazole-4-carboxylic acid has a molecular weight of 240.17 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-1-pyrazin-2-ylpyrazole-4-carboxylic acid is sourced from PubChem (CID 146381604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).