2-[1-(4-ethyl-3-oxopyrazin-2-yl)-3,5-dimethylpyrazol-4-yl]acetic acid

C13H16N4O3 — CID 62929394

IUPAC2-[1-(4-ethyl-3-oxopyrazin-2-yl)-3,5-dimethylpyrazol-4-yl]acetic acid
SMILESCCn1ccnc(-n2nc(C)c(CC(=O)O)c2C)c1=O
InChIInChI=1S/C13H16N4O3/c1-4-16-6-5-14-12(13(16)20)17-9(3)10(7-11(18)19)8(2)15-17/h5-6H,4,7H2,1-3H3,(H,18,19)
InChIKeyOPUGNFJQRHATOG-UHFFFAOYSA-N
MW276.30 g/mol
LogP0.69
Rot. Bonds4

About 2-[1-(4-ethyl-3-oxopyrazin-2-yl)-3,5-dimethylpyrazol-4-yl]acetic acid

2-[1-(4-ethyl-3-oxopyrazin-2-yl)-3,5-dimethylpyrazol-4-yl]acetic acid (PubChem CID 62929394) has the molecular formula C13H16N4O3 and a molecular weight of 276.30 g/mol. Its IUPAC name is 2-[1-(4-ethyl-3-oxopyrazin-2-yl)-3,5-dimethylpyrazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(4-ethyl-3-oxopyrazin-2-yl)-3,5-dimethylpyrazol-4-yl]acetic acid
PubChem CID62929394
Molecular FormulaC13H16N4O3
Molecular Weight276.30 g/mol
Exact Mass276.12
IUPAC Name2-[1-(4-ethyl-3-oxopyrazin-2-yl)-3,5-dimethylpyrazol-4-yl]acetic acid
SMILESCCn1ccnc(-n2nc(C)c(CC(=O)O)c2C)c1=O
InChIInChI=1S/C13H16N4O3/c1-4-16-6-5-14-12(13(16)20)17-9(3)10(7-11(18)19)8(2)15-17/h5-6H,4,7H2,1-3H3,(H,18,19)
InChIKeyOPUGNFJQRHATOG-UHFFFAOYSA-N
XLogP0.69
TPSA90.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3,5-dimethyl-1-(2-methylpyrimidin-4-yl)pyrazol-4-yl]acetic acid
CID 55113103
1-ethyl-3-methylpyrazin-2-one
CID 90291055
2-[1-(5-bromopyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetic acid
CID 63871923
2-[1-(2,6-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]acetic acid
CID 82132502
3,5-dimethyl-1-(4-methyl-3-oxopyrazin-2-yl)pyrazole-4-carboxylic acid
CID 62940986
1-(4-ethyl-3-oxopyrazin-2-yl)-4-nitropyrazole-3-carboxylic acid
CID 107347104
2-[2-(4-ethyl-3-oxopyrazin-2-yl)sulfanyl-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 62939638
2-[3,5-dimethyl-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)pyrazol-4-yl]acetic acid
CID 136989640
2-[1-(6-chloropyrazin-2-yl)-3,5-dimethylpyrazol-4-yl]acetic acid
CID 71756922
2-[3,5-dimethyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazol-4-yl]acetic acid
CID 65208615
2-(3,5-dimethyl-1-quinazolin-2-ylpyrazol-4-yl)acetic acid
CID 114789669
2-[3,5-dimethyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrazol-4-yl]acetic acid
CID 65273456

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-ethyl-3-oxopyrazin-2-yl)-3,5-dimethylpyrazol-4-yl]acetic acid?
The IUPAC name of 2-[1-(4-ethyl-3-oxopyrazin-2-yl)-3,5-dimethylpyrazol-4-yl]acetic acid (CID 62929394) is 2-[1-(4-ethyl-3-oxopyrazin-2-yl)-3,5-dimethylpyrazol-4-yl]acetic acid.
What is the SMILES notation for 2-[1-(4-ethyl-3-oxopyrazin-2-yl)-3,5-dimethylpyrazol-4-yl]acetic acid?
The canonical SMILES for 2-[1-(4-ethyl-3-oxopyrazin-2-yl)-3,5-dimethylpyrazol-4-yl]acetic acid is CCn1ccnc(-n2nc(C)c(CC(=O)O)c2C)c1=O.
What is the InChIKey of 2-[1-(4-ethyl-3-oxopyrazin-2-yl)-3,5-dimethylpyrazol-4-yl]acetic acid?
The InChIKey is OPUGNFJQRHATOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3/c1-4-16-6-5-14-12(13(16)20)17-9(3)10(7-11(18)19)8(2)15-17/h5-6H,4,7H2,1-3H3,(H,18,19).
What are the key properties of 2-[1-(4-ethyl-3-oxopyrazin-2-yl)-3,5-dimethylpyrazol-4-yl]acetic acid?
2-[1-(4-ethyl-3-oxopyrazin-2-yl)-3,5-dimethylpyrazol-4-yl]acetic acid has a molecular weight of 276.30 g/mol, XLogP of 0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-ethyl-3-oxopyrazin-2-yl)-3,5-dimethylpyrazol-4-yl]acetic acid is sourced from PubChem (CID 62929394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).