4-(6-methylpyrazin-2-yl)-1H-pyrazole-5-carboxylic acid

C9H8N4O2 — CID 144691311

IUPAC4-(6-methylpyrazin-2-yl)-1H-pyrazole-5-carboxylic acid
SMILESCc1cncc(-c2cn[nH]c2C(=O)O)n1
InChIInChI=1S/C9H8N4O2/c1-5-2-10-4-7(12-5)6-3-11-13-8(6)9(14)15/h2-4H,1H3,(H,11,13)(H,14,15)
InChIKeyKMOZVTCMLKYWQG-UHFFFAOYSA-N
MW204.19 g/mol
LogP0.87
Rot. Bonds2

About 4-(6-methylpyrazin-2-yl)-1H-pyrazole-5-carboxylic acid

4-(6-methylpyrazin-2-yl)-1H-pyrazole-5-carboxylic acid (PubChem CID 144691311) has the molecular formula C9H8N4O2 and a molecular weight of 204.19 g/mol. Its IUPAC name is 4-(6-methylpyrazin-2-yl)-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(6-methylpyrazin-2-yl)-1H-pyrazole-5-carboxylic acid
PubChem CID144691311
Molecular FormulaC9H8N4O2
Molecular Weight204.19 g/mol
Exact Mass204.06
IUPAC Name4-(6-methylpyrazin-2-yl)-1H-pyrazole-5-carboxylic acid
SMILESCc1cncc(-c2cn[nH]c2C(=O)O)n1
InChIInChI=1S/C9H8N4O2/c1-5-2-10-4-7(12-5)6-3-11-13-8(6)9(14)15/h2-4H,1H3,(H,11,13)(H,14,15)
InChIKeyKMOZVTCMLKYWQG-UHFFFAOYSA-N
XLogP0.87
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4,6-dimethyl-2-pyridinyl)-1H-pyrazole-5-carboxylic acid
CID 144691500
4-(6-methylpyrazin-2-yl)-N-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-pyrazole-5-carboxamide
CID 144691315
4-(2-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 83637973
4-pyridazin-3-yl-1H-pyrazole-5-carboxylic acid
CID 144691280
4-(2,5-dimethylphenyl)-1H-pyrazole-5-carboxylic acid
CID 83640390
amino 4-(4,6-dimethyl-2-pyridinyl)-1H-pyrazole-5-carboxylate
CID 144691403
1H-pyrazole-4,5-dicarboxylic acid
CID 3998064
2-methyl-6-(2-phenylphenyl)pyrazine
CID 58969440
[6-(5-methyl-1H-pyrazol-4-yl)pyrazin-2-yl]-morpholin-4-ylmethanone
CID 122558953
4-methyl-1H-pyrazole-5-carboxamide
CID 19376020
4-[2-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxylic acid
CID 105423770
6-(5-methyl-1H-pyrazol-4-yl)pyridine-2-carboxylic acid
CID 118172974

Frequently Asked Questions

What is the IUPAC name of 4-(6-methylpyrazin-2-yl)-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 4-(6-methylpyrazin-2-yl)-1H-pyrazole-5-carboxylic acid (CID 144691311) is 4-(6-methylpyrazin-2-yl)-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 4-(6-methylpyrazin-2-yl)-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 4-(6-methylpyrazin-2-yl)-1H-pyrazole-5-carboxylic acid is Cc1cncc(-c2cn[nH]c2C(=O)O)n1.
What is the InChIKey of 4-(6-methylpyrazin-2-yl)-1H-pyrazole-5-carboxylic acid?
The InChIKey is KMOZVTCMLKYWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O2/c1-5-2-10-4-7(12-5)6-3-11-13-8(6)9(14)15/h2-4H,1H3,(H,11,13)(H,14,15).
What are the key properties of 4-(6-methylpyrazin-2-yl)-1H-pyrazole-5-carboxylic acid?
4-(6-methylpyrazin-2-yl)-1H-pyrazole-5-carboxylic acid has a molecular weight of 204.19 g/mol, XLogP of 0.87, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methylpyrazin-2-yl)-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 144691311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).