2-(4-cyano-3-pyrazin-2-ylpyrazol-1-yl)acetic acid

C10H7N5O2 — CID 121213458

IUPAC2-(4-cyano-3-pyrazin-2-ylpyrazol-1-yl)acetic acid
SMILESN#Cc1cn(CC(=O)O)nc1-c1cnccn1
InChIInChI=1S/C10H7N5O2/c11-3-7-5-15(6-9(16)17)14-10(7)8-4-12-1-2-13-8/h1-2,4-5H,6H2,(H,16,17)
InChIKeyZWSYBJUCNWNQDJ-UHFFFAOYSA-N
MW229.20 g/mol
LogP0.30
Rot. Bonds3

About 2-(4-cyano-3-pyrazin-2-ylpyrazol-1-yl)acetic acid

2-(4-cyano-3-pyrazin-2-ylpyrazol-1-yl)acetic acid (PubChem CID 121213458) has the molecular formula C10H7N5O2 and a molecular weight of 229.20 g/mol. Its IUPAC name is 2-(4-cyano-3-pyrazin-2-ylpyrazol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(4-cyano-3-pyrazin-2-ylpyrazol-1-yl)acetic acid
PubChem CID121213458
Molecular FormulaC10H7N5O2
Molecular Weight229.20 g/mol
Exact Mass229.06
IUPAC Name2-(4-cyano-3-pyrazin-2-ylpyrazol-1-yl)acetic acid
SMILESN#Cc1cn(CC(=O)O)nc1-c1cnccn1
InChIInChI=1S/C10H7N5O2/c11-3-7-5-15(6-9(16)17)14-10(7)8-4-12-1-2-13-8/h1-2,4-5H,6H2,(H,16,17)
InChIKeyZWSYBJUCNWNQDJ-UHFFFAOYSA-N
XLogP0.30
TPSA104.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(hydroxymethyl)-3-pyrazin-2-ylpyrazol-1-yl]acetonitrile
CID 121213349
2-(6-oxo-4-pyrazin-2-ylpyrimidin-1-yl)acetic acid
CID 121205734
2-(5-amino-3-pyrazin-2-ylpyrazol-1-yl)acetic acid
CID 121214164
1-propyl-3-pyrazin-2-ylpyrazol-4-amine
CID 83222398
2-(3-pyridin-3-yl-1,2,4-triazol-1-yl)acetic acid
CID 82282721
5-methyl-4-pyrazin-2-ylpyrimidine-2-carboxylic acid
CID 156842800
1-(2-fluoroethyl)-3-pyridin-3-ylpyrazole-4-carbonitrile
CID 121213440
2-pyrazin-2-ylacetic acid
CID 19797048
2-(1-prop-2-ynyl-3-pyrazin-2-ylpyrazol-4-yl)ethanamine
CID 121213914
5-amino-1-propyl-3-pyrazin-2-ylpyrazole-4-carbonitrile
CID 22449345
2-(5-hydroxyimidazol-1-yl)acetic acid
CID 68719528
1-(3-methylbutyl)-3-pyrazin-2-ylpyrazol-4-amine
CID 83222881

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyano-3-pyrazin-2-ylpyrazol-1-yl)acetic acid?
The IUPAC name of 2-(4-cyano-3-pyrazin-2-ylpyrazol-1-yl)acetic acid (CID 121213458) is 2-(4-cyano-3-pyrazin-2-ylpyrazol-1-yl)acetic acid.
What is the SMILES notation for 2-(4-cyano-3-pyrazin-2-ylpyrazol-1-yl)acetic acid?
The canonical SMILES for 2-(4-cyano-3-pyrazin-2-ylpyrazol-1-yl)acetic acid is N#Cc1cn(CC(=O)O)nc1-c1cnccn1.
What is the InChIKey of 2-(4-cyano-3-pyrazin-2-ylpyrazol-1-yl)acetic acid?
The InChIKey is ZWSYBJUCNWNQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N5O2/c11-3-7-5-15(6-9(16)17)14-10(7)8-4-12-1-2-13-8/h1-2,4-5H,6H2,(H,16,17).
What are the key properties of 2-(4-cyano-3-pyrazin-2-ylpyrazol-1-yl)acetic acid?
2-(4-cyano-3-pyrazin-2-ylpyrazol-1-yl)acetic acid has a molecular weight of 229.20 g/mol, XLogP of 0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyano-3-pyrazin-2-ylpyrazol-1-yl)acetic acid is sourced from PubChem (CID 121213458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).