5-[(E)-2-(5-cyclopropyl-1-methylpyrazol-3-yl)ethenyl]pyrazine-2-carboxylic acid

C14H14N4O2 — CID 166302015

IUPAC5-[(E)-2-(5-cyclopropyl-1-methylpyrazol-3-yl)ethenyl]pyrazine-2-carboxylic acid
SMILESCn1nc(/C=C/c2cnc(C(=O)O)cn2)cc1C1CC1
InChIInChI=1S/C14H14N4O2/c1-18-13(9-2-3-9)6-10(17-18)4-5-11-7-16-12(8-15-11)14(19)20/h4-9H,2-3H2,1H3,(H,19,20)/b5-4+
InChIKeyXQLLULYADYPIIW-SNAWJCMRSA-N
MW270.29 g/mol
LogP1.96
Rot. Bonds4

About 5-[(E)-2-(5-cyclopropyl-1-methylpyrazol-3-yl)ethenyl]pyrazine-2-carboxylic acid

5-[(E)-2-(5-cyclopropyl-1-methylpyrazol-3-yl)ethenyl]pyrazine-2-carboxylic acid (PubChem CID 166302015) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 5-[(E)-2-(5-cyclopropyl-1-methylpyrazol-3-yl)ethenyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(E)-2-(5-cyclopropyl-1-methylpyrazol-3-yl)ethenyl]pyrazine-2-carboxylic acid
PubChem CID166302015
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name5-[(E)-2-(5-cyclopropyl-1-methylpyrazol-3-yl)ethenyl]pyrazine-2-carboxylic acid
SMILESCn1nc(/C=C/c2cnc(C(=O)O)cn2)cc1C1CC1
InChIInChI=1S/C14H14N4O2/c1-18-13(9-2-3-9)6-10(17-18)4-5-11-7-16-12(8-15-11)14(19)20/h4-9H,2-3H2,1H3,(H,19,20)/b5-4+
InChIKeyXQLLULYADYPIIW-SNAWJCMRSA-N
XLogP1.96
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(E)-prop-1-enyl]pyrazine-2-carboxylic acid
CID 57085251
2-(5-cyclopropyl-1-methylpyrazol-3-yl)-2-hydroxyacetic acid
CID 155894444
5-cyclohexyl-1-methylpyrazole-3-carbaldehyde
CID 83818201
(2R)-2-[(5-cyclopropyl-1-methylpyrazole-3-carbonyl)amino]-4-methylpentanoic acid
CID 119364489
2-(5-cyclopentyl-1-methylpyrazol-3-yl)propanoic acid
CID 105479308
5-(1-methylpiperidin-4-yl)pyrazine-2-carboxylic acid
CID 123578184
2-[(5-cyclopropyl-1-methylpyrazole-3-carbonyl)amino]propanoic acid
CID 119349056
5-(4-ethenylpiperidine-1-carbonyl)pyrazine-2-carboxylic acid
CID 120690280
3-cyclopropyl-1-methylpyrazole-5-carboxylic acid;hydrochloride
CID 133054193
(5-cyclopropyl-1-methylpyrazol-3-yl)-(7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone
CID 136527947
5-cyclopropyl-1-methylpyrazol-3-amine
CID 25248190
3-cyclopropyl-2-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 83910073

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-(5-cyclopropyl-1-methylpyrazol-3-yl)ethenyl]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[(E)-2-(5-cyclopropyl-1-methylpyrazol-3-yl)ethenyl]pyrazine-2-carboxylic acid (CID 166302015) is 5-[(E)-2-(5-cyclopropyl-1-methylpyrazol-3-yl)ethenyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[(E)-2-(5-cyclopropyl-1-methylpyrazol-3-yl)ethenyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[(E)-2-(5-cyclopropyl-1-methylpyrazol-3-yl)ethenyl]pyrazine-2-carboxylic acid is Cn1nc(/C=C/c2cnc(C(=O)O)cn2)cc1C1CC1.
What is the InChIKey of 5-[(E)-2-(5-cyclopropyl-1-methylpyrazol-3-yl)ethenyl]pyrazine-2-carboxylic acid?
The InChIKey is XQLLULYADYPIIW-SNAWJCMRSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-18-13(9-2-3-9)6-10(17-18)4-5-11-7-16-12(8-15-11)14(19)20/h4-9H,2-3H2,1H3,(H,19,20)/b5-4+.
What are the key properties of 5-[(E)-2-(5-cyclopropyl-1-methylpyrazol-3-yl)ethenyl]pyrazine-2-carboxylic acid?
5-[(E)-2-(5-cyclopropyl-1-methylpyrazol-3-yl)ethenyl]pyrazine-2-carboxylic acid has a molecular weight of 270.29 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-(5-cyclopropyl-1-methylpyrazol-3-yl)ethenyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 166302015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).