6-(4-chloropyrazol-1-yl)pyrazine-2-carboxylic acid

C8H5ClN4O2 — CID 66456664

IUPAC6-(4-chloropyrazol-1-yl)pyrazine-2-carboxylic acid
SMILESO=C(O)c1cncc(-n2cc(Cl)cn2)n1
InChIInChI=1S/C8H5ClN4O2/c9-5-1-11-13(4-5)7-3-10-2-6(12-7)8(14)15/h1-4H,(H,14,15)
InChIKeyVZVOIZRBXDCYQG-UHFFFAOYSA-N
MW224.61 g/mol
LogP1.01
Rot. Bonds2

About 6-(4-chloropyrazol-1-yl)pyrazine-2-carboxylic acid

6-(4-chloropyrazol-1-yl)pyrazine-2-carboxylic acid (PubChem CID 66456664) has the molecular formula C8H5ClN4O2 and a molecular weight of 224.61 g/mol. Its IUPAC name is 6-(4-chloropyrazol-1-yl)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name6-(4-chloropyrazol-1-yl)pyrazine-2-carboxylic acid
PubChem CID66456664
Molecular FormulaC8H5ClN4O2
Molecular Weight224.61 g/mol
Exact Mass224.01
IUPAC Name6-(4-chloropyrazol-1-yl)pyrazine-2-carboxylic acid
SMILESO=C(O)c1cncc(-n2cc(Cl)cn2)n1
InChIInChI=1S/C8H5ClN4O2/c9-5-1-11-13(4-5)7-3-10-2-6(12-7)8(14)15/h1-4H,(H,14,15)
InChIKeyVZVOIZRBXDCYQG-UHFFFAOYSA-N
XLogP1.01
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.61
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1H-pyrazol-1-yl)pyrazine-2-carboxylic acid
CID 53408322
6-(1H-pyrazol-1-yl)pyrazine-2-carboxylic acid
CID 66455449
5-[3-(Trifluoromethyl)pyrazol-1-yl]pyrazine-2-carboxylic acid
CID 59250617
1-(6-Trifluoromethyl-pyrazin-2-yl)-1H-pyrazole-4-carboxylic acid
CID 71087246
6-Chloroimidazo[1,2-a]pyrimidine-2-carboxylic acid
CID 51072304
3-[3-(Trifluoromethyl)pyrazol-1-yl]pyrazine-2-carboxylic acid
CID 55107710
3-[4-(Trifluoromethyl)pyrazol-1-yl]pyrazine-2-carboxylic acid
CID 64177820
5-[4-(Trifluoromethyl)pyrazol-1-yl]pyrazine-2-carboxylic acid
CID 64267844
6-[4-(Trifluoromethyl)pyrazol-1-yl]pyrazine-2-carboxylic acid
CID 66457263
6-[3-(Trifluoromethyl)pyrazol-1-yl]pyrazine-2-carboxylic acid
CID 66458049
1-(Pyrazin-2-yl)-1H-pyrazole-4-carboxylic acid
CID 57688424
1-Pyrimidin-4-yltriazole-4-carboxylic acid
CID 57688440

Frequently Asked Questions

What is the IUPAC name of 6-(4-chloropyrazol-1-yl)pyrazine-2-carboxylic acid?
The IUPAC name of 6-(4-chloropyrazol-1-yl)pyrazine-2-carboxylic acid (CID 66456664) is 6-(4-chloropyrazol-1-yl)pyrazine-2-carboxylic acid.
What is the SMILES notation for 6-(4-chloropyrazol-1-yl)pyrazine-2-carboxylic acid?
The canonical SMILES for 6-(4-chloropyrazol-1-yl)pyrazine-2-carboxylic acid is O=C(O)c1cncc(-n2cc(Cl)cn2)n1.
What is the InChIKey of 6-(4-chloropyrazol-1-yl)pyrazine-2-carboxylic acid?
The InChIKey is VZVOIZRBXDCYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClN4O2/c9-5-1-11-13(4-5)7-3-10-2-6(12-7)8(14)15/h1-4H,(H,14,15).
What are the key properties of 6-(4-chloropyrazol-1-yl)pyrazine-2-carboxylic acid?
6-(4-chloropyrazol-1-yl)pyrazine-2-carboxylic acid has a molecular weight of 224.61 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloropyrazol-1-yl)pyrazine-2-carboxylic acid is sourced from PubChem (CID 66456664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).