4-pyridazin-3-yl-1H-pyrazole-5-carboxylic acid

C8H6N4O2 — CID 144691280

IUPAC4-pyridazin-3-yl-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1[nH]ncc1-c1cccnn1
InChIInChI=1S/C8H6N4O2/c13-8(14)7-5(4-10-12-7)6-2-1-3-9-11-6/h1-4H,(H,10,12)(H,13,14)
InChIKeyQZSRXXOMHQAFRM-UHFFFAOYSA-N
MW190.16 g/mol
LogP0.56
Rot. Bonds2

About 4-pyridazin-3-yl-1H-pyrazole-5-carboxylic acid

4-pyridazin-3-yl-1H-pyrazole-5-carboxylic acid (PubChem CID 144691280) has the molecular formula C8H6N4O2 and a molecular weight of 190.16 g/mol. Its IUPAC name is 4-pyridazin-3-yl-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name4-pyridazin-3-yl-1H-pyrazole-5-carboxylic acid
PubChem CID144691280
Molecular FormulaC8H6N4O2
Molecular Weight190.16 g/mol
Exact Mass190.05
IUPAC Name4-pyridazin-3-yl-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1[nH]ncc1-c1cccnn1
InChIInChI=1S/C8H6N4O2/c13-8(14)7-5(4-10-12-7)6-2-1-3-9-11-6/h1-4H,(H,10,12)(H,13,14)
InChIKeyQZSRXXOMHQAFRM-UHFFFAOYSA-N
XLogP0.56
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.16
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-pyridazin-3-ylbenzoic acid
CID 68896224
4-(2-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 83637973
4-(6-methylpyrazin-2-yl)-1H-pyrazole-5-carboxylic acid
CID 144691311
4-(4,6-dimethyl-2-pyridinyl)-1H-pyrazole-5-carboxylic acid
CID 144691500
4-amino-3-pyridazin-3-ylbenzoic acid
CID 165444620
4-[2-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxylic acid
CID 105423770
5-pyridazin-3-ylfuran-2-carboxylic acid
CID 118477530
4-pyridazin-3-yl-1H-pyridazine-6-thione
CID 156807954
4-(2,5-dimethylphenyl)-1H-pyrazole-5-carboxylic acid
CID 83640390
1H-pyrazole-4,5-dicarboxylic acid
CID 3998064
4-carbamoyl-1H-pyrazole-5-carboxylic acid
CID 152609606
iridium(3+);tris(4-phenyl-1H-pyrazole-5-carboxylate)
CID 158208821

Frequently Asked Questions

What is the IUPAC name of 4-pyridazin-3-yl-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 4-pyridazin-3-yl-1H-pyrazole-5-carboxylic acid (CID 144691280) is 4-pyridazin-3-yl-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 4-pyridazin-3-yl-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 4-pyridazin-3-yl-1H-pyrazole-5-carboxylic acid is O=C(O)c1[nH]ncc1-c1cccnn1.
What is the InChIKey of 4-pyridazin-3-yl-1H-pyrazole-5-carboxylic acid?
The InChIKey is QZSRXXOMHQAFRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N4O2/c13-8(14)7-5(4-10-12-7)6-2-1-3-9-11-6/h1-4H,(H,10,12)(H,13,14).
What are the key properties of 4-pyridazin-3-yl-1H-pyrazole-5-carboxylic acid?
4-pyridazin-3-yl-1H-pyrazole-5-carboxylic acid has a molecular weight of 190.16 g/mol, XLogP of 0.56, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridazin-3-yl-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 144691280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).