4-[6-(1-methylpyrazol-4-yl)pyrazin-2-yl]benzoic acid

C15H12N4O2 — CID 118723884

IUPAC4-[6-(1-methylpyrazol-4-yl)pyrazin-2-yl]benzoic acid
SMILESCn1cc(-c2cncc(-c3ccc(C(=O)O)cc3)n2)cn1
InChIInChI=1S/C15H12N4O2/c1-19-9-12(6-17-19)14-8-16-7-13(18-14)10-2-4-11(5-3-10)15(20)21/h2-9H,1H3,(H,20,21)
InChIKeyAZNGRAYTTRSJMH-UHFFFAOYSA-N
MW280.29 g/mol
LogP2.24
Rot. Bonds3

About 4-[6-(1-methylpyrazol-4-yl)pyrazin-2-yl]benzoic acid

4-[6-(1-methylpyrazol-4-yl)pyrazin-2-yl]benzoic acid (PubChem CID 118723884) has the molecular formula C15H12N4O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is 4-[6-(1-methylpyrazol-4-yl)pyrazin-2-yl]benzoic acid.

Molecular Properties

Compound Name4-[6-(1-methylpyrazol-4-yl)pyrazin-2-yl]benzoic acid
PubChem CID118723884
Molecular FormulaC15H12N4O2
Molecular Weight280.29 g/mol
Exact Mass280.10
IUPAC Name4-[6-(1-methylpyrazol-4-yl)pyrazin-2-yl]benzoic acid
SMILESCn1cc(-c2cncc(-c3ccc(C(=O)O)cc3)n2)cn1
InChIInChI=1S/C15H12N4O2/c1-19-9-12(6-17-19)14-8-16-7-13(18-14)10-2-4-11(5-3-10)15(20)21/h2-9H,1H3,(H,20,21)
InChIKeyAZNGRAYTTRSJMH-UHFFFAOYSA-N
XLogP2.24
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-phenyl-3-(pyridin-4-yl)-1H-pyrazole-4-carboxylic acid
CID 976454
2-(1,5-dimethyl-1H-pyrazol-4-yl)quinoline-4-carboxylic acid
CID 3164943
2-[(5-Methyl-1H-pyrazol-1-yl)methyl]-4-quinolinecarboxylic acid
CID 6485411
4-((3,5-Dimethyl-1H-pyrazol-1-yl)methyl)benzoic acid
CID 615212
4-[5-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-quinoxalin-2-yl)-1H-pyrazol-3-yl]-benzoic acid
CID 10690943
Benzoic acid, 4-(5-(1,5-bis(1-methylethyl)-1H-pyrazol-3-yl)-1H-pyrrol-2-yl)-
CID 135525244
2-(1-ethyl-1H-pyrazol-4-yl)quinoline-4-carboxylic acid
CID 6485380
4-(2-Pyridyl)Benzoic Acid
CID 821692
2-(1,3-dimethyl-1H-pyrazol-4-yl)quinoline-4-carboxylic acid
CID 6485381
1-phenyl-3-(pyridin-3-yl)-1H-pyrazole-4-carboxylic acid
CID 752171
Pyrazolo(1,5-a)pyridine-3-carboxylic acid
CID 2795462
4-(1H-pyrazol-1-ylmethyl)benzoic acid
CID 6484268

Frequently Asked Questions

What is the IUPAC name of 4-[6-(1-methylpyrazol-4-yl)pyrazin-2-yl]benzoic acid?
The IUPAC name of 4-[6-(1-methylpyrazol-4-yl)pyrazin-2-yl]benzoic acid (CID 118723884) is 4-[6-(1-methylpyrazol-4-yl)pyrazin-2-yl]benzoic acid.
What is the SMILES notation for 4-[6-(1-methylpyrazol-4-yl)pyrazin-2-yl]benzoic acid?
The canonical SMILES for 4-[6-(1-methylpyrazol-4-yl)pyrazin-2-yl]benzoic acid is Cn1cc(-c2cncc(-c3ccc(C(=O)O)cc3)n2)cn1.
What is the InChIKey of 4-[6-(1-methylpyrazol-4-yl)pyrazin-2-yl]benzoic acid?
The InChIKey is AZNGRAYTTRSJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O2/c1-19-9-12(6-17-19)14-8-16-7-13(18-14)10-2-4-11(5-3-10)15(20)21/h2-9H,1H3,(H,20,21).
What are the key properties of 4-[6-(1-methylpyrazol-4-yl)pyrazin-2-yl]benzoic acid?
4-[6-(1-methylpyrazol-4-yl)pyrazin-2-yl]benzoic acid has a molecular weight of 280.29 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(1-methylpyrazol-4-yl)pyrazin-2-yl]benzoic acid is sourced from PubChem (CID 118723884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).