3-(1-pyrazin-2-ylpyrazol-4-yl)propanoic acid

C10H10N4O2 — CID 122241022

IUPAC3-(1-pyrazin-2-ylpyrazol-4-yl)propanoic acid
SMILESO=C(O)CCc1cnn(-c2cnccn2)c1
InChIInChI=1S/C10H10N4O2/c15-10(16)2-1-8-5-13-14(7-8)9-6-11-3-4-12-9/h3-7H,1-2H2,(H,15,16)
InChIKeyPELSTZNVHSEHQT-UHFFFAOYSA-N
MW218.22 g/mol
LogP0.68
Rot. Bonds4

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

3-(1-pyrazin-2-ylpyrazol-4-yl)propanoic acid (PubChem CID 122241022) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 3-(1-pyrazin-2-ylpyrazol-4-yl)propanoic acid.

Molecular Properties

Compound Name3-(1-pyrazin-2-ylpyrazol-4-yl)propanoic acid
PubChem CID122241022
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Name3-(1-pyrazin-2-ylpyrazol-4-yl)propanoic acid
SMILESO=C(O)CCc1cnn(-c2cnccn2)c1
InChIInChI=1S/C10H10N4O2/c15-10(16)2-1-8-5-13-14(7-8)9-6-11-3-4-12-9/h3-7H,1-2H2,(H,15,16)
InChIKeyPELSTZNVHSEHQT-UHFFFAOYSA-N
XLogP0.68
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-propyl-3-(1-pyrazin-2-ylpyrazol-4-yl)propan-1-amine
CID 81041509
1-pyrazin-2-ylpyrazol-4-ol
CID 122241026
3-[1-(4-methylphenyl)pyrazol-4-yl]propanoic acid
CID 83894149
1-pyrazin-2-ylpyrazole-4-sulfonamide
CID 81042718
3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoic acid
CID 84772253
3-(1-prop-2-ynylpyrazol-4-yl)propanoic acid
CID 84767566
3-pyridin-3-ylpropanoic acid;hydrochloride
CID 66648902
4-[4-(2-bromoethyl)pyrazol-1-yl]pyrimidine
CID 130540923
3-(1-butylpyrazol-4-yl)propanoic acid
CID 122240441
3-(1-but-3-enylpyrazol-4-yl)propanoic acid
CID 122240958
methyl 3-[1-(5-amino-2-pyridinyl)pyrazol-4-yl]propanoate
CID 58775787
5-pyrazin-2-ylpentanoic acid
CID 22934386

Frequently Asked Questions

What is the IUPAC name of 3-(1-pyrazin-2-ylpyrazol-4-yl)propanoic acid?
The IUPAC name of 3-(1-pyrazin-2-ylpyrazol-4-yl)propanoic acid (CID 122241022) is 3-(1-pyrazin-2-ylpyrazol-4-yl)propanoic acid.
What is the SMILES notation for 3-(1-pyrazin-2-ylpyrazol-4-yl)propanoic acid?
The canonical SMILES for 3-(1-pyrazin-2-ylpyrazol-4-yl)propanoic acid is O=C(O)CCc1cnn(-c2cnccn2)c1.
What is the InChIKey of 3-(1-pyrazin-2-ylpyrazol-4-yl)propanoic acid?
The InChIKey is PELSTZNVHSEHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2/c15-10(16)2-1-8-5-13-14(7-8)9-6-11-3-4-12-9/h3-7H,1-2H2,(H,15,16).
What are the key properties of 3-(1-pyrazin-2-ylpyrazol-4-yl)propanoic acid?
3-(1-pyrazin-2-ylpyrazol-4-yl)propanoic acid has a molecular weight of 218.22 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-pyrazin-2-ylpyrazol-4-yl)propanoic acid is sourced from PubChem (CID 122241022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).