3,5-dimethyl-1-(4-methyl-3-oxopyrazin-2-yl)pyrazole-4-carboxylic acid

C11H12N4O3 — CID 62940986

IUPAC3,5-dimethyl-1-(4-methyl-3-oxopyrazin-2-yl)pyrazole-4-carboxylic acid
SMILESCc1nn(-c2nccn(C)c2=O)c(C)c1C(=O)O
InChIInChI=1S/C11H12N4O3/c1-6-8(11(17)18)7(2)15(13-6)9-10(16)14(3)5-4-12-9/h4-5H,1-3H3,(H,17,18)
InChIKeyIHNAHOZFNMZANO-UHFFFAOYSA-N
MW248.24 g/mol
LogP0.28
Rot. Bonds2

About 3,5-dimethyl-1-(4-methyl-3-oxopyrazin-2-yl)pyrazole-4-carboxylic acid

3,5-dimethyl-1-(4-methyl-3-oxopyrazin-2-yl)pyrazole-4-carboxylic acid (PubChem CID 62940986) has the molecular formula C11H12N4O3 and a molecular weight of 248.24 g/mol. Its IUPAC name is 3,5-dimethyl-1-(4-methyl-3-oxopyrazin-2-yl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name3,5-dimethyl-1-(4-methyl-3-oxopyrazin-2-yl)pyrazole-4-carboxylic acid
PubChem CID62940986
Molecular FormulaC11H12N4O3
Molecular Weight248.24 g/mol
Exact Mass248.09
IUPAC Name3,5-dimethyl-1-(4-methyl-3-oxopyrazin-2-yl)pyrazole-4-carboxylic acid
SMILESCc1nn(-c2nccn(C)c2=O)c(C)c1C(=O)O
InChIInChI=1S/C11H12N4O3/c1-6-8(11(17)18)7(2)15(13-6)9-10(16)14(3)5-4-12-9/h4-5H,1-3H3,(H,17,18)
InChIKeyIHNAHOZFNMZANO-UHFFFAOYSA-N
XLogP0.28
TPSA90.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,5-dimethyl-1-[(1-methylimidazol-2-yl)methyl]pyrazole-4-carboxylic acid
CID 43565398
3,5-dimethyl-1-(1-methyl-4-nitropyrazol-3-yl)pyrazole-4-carboxylic acid
CID 103080478
2-[1-(4-ethyl-3-oxopyrazin-2-yl)-3,5-dimethylpyrazol-4-yl]acetic acid
CID 62929394
1-(5-chloro-3-fluoro-2-pyridinyl)-3,5-dimethylpyrazole-4-carboxylic acid
CID 79733363
1-(1H-indazol-3-yl)-3,5-dimethylpyrazole-4-carboxylic acid
CID 13349347
3,5-dimethyl-1-(2-propan-2-ylphenyl)pyrazole-4-carboxylic acid
CID 82089552
1-(4-methyl-3-oxopyrazin-2-yl)-3-propylpyrrolidine-3-carboxylic acid
CID 55166159
3-[(3R)-3-hydroxypyrrolidin-1-yl]-1-methylpyrazin-2-one
CID 103696647
1-(2,4-dimethylphenyl)-3,5-dimethylpyrazole-4-carboxylic acid
CID 39348257
3,5-dimethyl-1-(pyridin-4-ylmethyl)pyrazole-4-carboxylic acid
CID 43565537
3,5-dimethyl-1-(6-methylsulfanylpyrimidin-4-yl)pyrazole-4-carboxylic acid
CID 106973536
1-(4-cyano-1,3-dimethylpyrazol-5-yl)-3,5-dimethylpyrazole-4-carboxylic acid
CID 63756664

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-(4-methyl-3-oxopyrazin-2-yl)pyrazole-4-carboxylic acid?
The IUPAC name of 3,5-dimethyl-1-(4-methyl-3-oxopyrazin-2-yl)pyrazole-4-carboxylic acid (CID 62940986) is 3,5-dimethyl-1-(4-methyl-3-oxopyrazin-2-yl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 3,5-dimethyl-1-(4-methyl-3-oxopyrazin-2-yl)pyrazole-4-carboxylic acid?
The canonical SMILES for 3,5-dimethyl-1-(4-methyl-3-oxopyrazin-2-yl)pyrazole-4-carboxylic acid is Cc1nn(-c2nccn(C)c2=O)c(C)c1C(=O)O.
What is the InChIKey of 3,5-dimethyl-1-(4-methyl-3-oxopyrazin-2-yl)pyrazole-4-carboxylic acid?
The InChIKey is IHNAHOZFNMZANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3/c1-6-8(11(17)18)7(2)15(13-6)9-10(16)14(3)5-4-12-9/h4-5H,1-3H3,(H,17,18).
What are the key properties of 3,5-dimethyl-1-(4-methyl-3-oxopyrazin-2-yl)pyrazole-4-carboxylic acid?
3,5-dimethyl-1-(4-methyl-3-oxopyrazin-2-yl)pyrazole-4-carboxylic acid has a molecular weight of 248.24 g/mol, XLogP of 0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-(4-methyl-3-oxopyrazin-2-yl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 62940986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).