2-ethenylpyrazole-3-carboxylic acid

C6H6N2O2 — CID 1084592

IUPAC2-ethenylpyrazole-3-carboxylic acid
SMILESC=Cn1nccc1C(=O)O
InChIInChI=1S/C6H6N2O2/c1-2-8-5(6(9)10)3-4-7-8/h2-4H,1H2,(H,9,10)
InChIKeyIADHRHJRSDCULU-UHFFFAOYSA-N
MW138.13 g/mol
LogP0.68
Rot. Bonds2

About 2-ethenylpyrazole-3-carboxylic acid

2-ethenylpyrazole-3-carboxylic acid (PubChem CID 1084592) has the molecular formula C6H6N2O2 and a molecular weight of 138.13 g/mol. Its IUPAC name is 2-ethenylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name2-ethenylpyrazole-3-carboxylic acid
PubChem CID1084592
Molecular FormulaC6H6N2O2
Molecular Weight138.13 g/mol
Exact Mass138.04
IUPAC Name2-ethenylpyrazole-3-carboxylic acid
SMILESC=Cn1nccc1C(=O)O
InChIInChI=1S/C6H6N2O2/c1-2-8-5(6(9)10)3-4-7-8/h2-4H,1H2,(H,9,10)
InChIKeyIADHRHJRSDCULU-UHFFFAOYSA-N
XLogP0.68
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.13
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-1H-pyrazole-5-carboxylic acid
CID 643158
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
4-iodo-1-methyl-1H-pyrazole-3-carboxylic acid
CID 619777
4-Bromo-1-methyl-1H-pyrazole-5-carboxylic acid
CID 673686
1-(difluoromethyl)-1H-pyrazole-5-carboxylic acid
CID 3154179
1-(oxan-4-yl)-1H-pyrazole-5-carboxylic acid
CID 84733364
4-chloro-1-methyl-1H-pyrazole-5-carboxylic acid
CID 670823
4-Iodo-1-methyl-1H-pyrazole-5-carboxylic acid
CID 673687

Frequently Asked Questions

What is the IUPAC name of 2-ethenylpyrazole-3-carboxylic acid?
The IUPAC name of 2-ethenylpyrazole-3-carboxylic acid (CID 1084592) is 2-ethenylpyrazole-3-carboxylic acid.
What is the SMILES notation for 2-ethenylpyrazole-3-carboxylic acid?
The canonical SMILES for 2-ethenylpyrazole-3-carboxylic acid is C=Cn1nccc1C(=O)O.
What is the InChIKey of 2-ethenylpyrazole-3-carboxylic acid?
The InChIKey is IADHRHJRSDCULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O2/c1-2-8-5(6(9)10)3-4-7-8/h2-4H,1H2,(H,9,10).
What are the key properties of 2-ethenylpyrazole-3-carboxylic acid?
2-ethenylpyrazole-3-carboxylic acid has a molecular weight of 138.13 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenylpyrazole-3-carboxylic acid is sourced from PubChem (CID 1084592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).