2-(1-pyrimidin-2-ylpyrazol-4-yl)acetic acid

C9H8N4O2 — CID 67027708

IUPAC2-(1-pyrimidin-2-ylpyrazol-4-yl)acetic acid
SMILESO=C(O)Cc1cnn(-c2ncccn2)c1
InChIInChI=1S/C9H8N4O2/c14-8(15)4-7-5-12-13(6-7)9-10-2-1-3-11-9/h1-3,5-6H,4H2,(H,14,15)
InChIKeyYJHIZFFTCDRJSE-UHFFFAOYSA-N
MW204.19 g/mol
LogP0.29
Rot. Bonds3

About 2-(1-pyrimidin-2-ylpyrazol-4-yl)acetic acid

2-(1-pyrimidin-2-ylpyrazol-4-yl)acetic acid (PubChem CID 67027708) has the molecular formula C9H8N4O2 and a molecular weight of 204.19 g/mol. Its IUPAC name is 2-(1-pyrimidin-2-ylpyrazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(1-pyrimidin-2-ylpyrazol-4-yl)acetic acid
PubChem CID67027708
Molecular FormulaC9H8N4O2
Molecular Weight204.19 g/mol
Exact Mass204.06
IUPAC Name2-(1-pyrimidin-2-ylpyrazol-4-yl)acetic acid
SMILESO=C(O)Cc1cnn(-c2ncccn2)c1
InChIInChI=1S/C9H8N4O2/c14-8(15)4-7-5-12-13(6-7)9-10-2-1-3-11-9/h1-3,5-6H,4H2,(H,14,15)
InChIKeyYJHIZFFTCDRJSE-UHFFFAOYSA-N
XLogP0.29
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-pyrimidin-2-ylpyrazol-4-yl)acetic acid?
The IUPAC name of 2-(1-pyrimidin-2-ylpyrazol-4-yl)acetic acid (CID 67027708) is 2-(1-pyrimidin-2-ylpyrazol-4-yl)acetic acid.
What is the SMILES notation for 2-(1-pyrimidin-2-ylpyrazol-4-yl)acetic acid?
The canonical SMILES for 2-(1-pyrimidin-2-ylpyrazol-4-yl)acetic acid is O=C(O)Cc1cnn(-c2ncccn2)c1.
What is the InChIKey of 2-(1-pyrimidin-2-ylpyrazol-4-yl)acetic acid?
The InChIKey is YJHIZFFTCDRJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O2/c14-8(15)4-7-5-12-13(6-7)9-10-2-1-3-11-9/h1-3,5-6H,4H2,(H,14,15).
What are the key properties of 2-(1-pyrimidin-2-ylpyrazol-4-yl)acetic acid?
2-(1-pyrimidin-2-ylpyrazol-4-yl)acetic acid has a molecular weight of 204.19 g/mol, XLogP of 0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-pyrimidin-2-ylpyrazol-4-yl)acetic acid is sourced from PubChem (CID 67027708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).