2-[2-(1H-pyrazol-5-yl)pyrimidin-5-yl]acetic acid

C9H8N4O2 — CID 96618722

IUPAC2-[2-(1H-pyrazol-5-yl)pyrimidin-5-yl]acetic acid
SMILESO=C(O)Cc1cnc(-c2ccn[nH]2)nc1
InChIInChI=1S/C9H8N4O2/c14-8(15)3-6-4-10-9(11-5-6)7-1-2-12-13-7/h1-2,4-5H,3H2,(H,12,13)(H,14,15)
InChIKeyWLPWKIYAJHDLOZ-UHFFFAOYSA-N
MW204.19 g/mol
LogP0.49
Rot. Bonds3

About 2-[2-(1H-pyrazol-5-yl)pyrimidin-5-yl]acetic acid

2-[2-(1H-pyrazol-5-yl)pyrimidin-5-yl]acetic acid (PubChem CID 96618722) has the molecular formula C9H8N4O2 and a molecular weight of 204.19 g/mol. Its IUPAC name is 2-[2-(1H-pyrazol-5-yl)pyrimidin-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(1H-pyrazol-5-yl)pyrimidin-5-yl]acetic acid
PubChem CID96618722
Molecular FormulaC9H8N4O2
Molecular Weight204.19 g/mol
Exact Mass204.06
IUPAC Name2-[2-(1H-pyrazol-5-yl)pyrimidin-5-yl]acetic acid
SMILESO=C(O)Cc1cnc(-c2ccn[nH]2)nc1
InChIInChI=1S/C9H8N4O2/c14-8(15)3-6-4-10-9(11-5-6)7-1-2-12-13-7/h1-2,4-5H,3H2,(H,12,13)(H,14,15)
InChIKeyWLPWKIYAJHDLOZ-UHFFFAOYSA-N
XLogP0.49
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1H-pyrazol-5-yl)pyrimidin-5-yl]acetic acid?
The IUPAC name of 2-[2-(1H-pyrazol-5-yl)pyrimidin-5-yl]acetic acid (CID 96618722) is 2-[2-(1H-pyrazol-5-yl)pyrimidin-5-yl]acetic acid.
What is the SMILES notation for 2-[2-(1H-pyrazol-5-yl)pyrimidin-5-yl]acetic acid?
The canonical SMILES for 2-[2-(1H-pyrazol-5-yl)pyrimidin-5-yl]acetic acid is O=C(O)Cc1cnc(-c2ccn[nH]2)nc1.
What is the InChIKey of 2-[2-(1H-pyrazol-5-yl)pyrimidin-5-yl]acetic acid?
The InChIKey is WLPWKIYAJHDLOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O2/c14-8(15)3-6-4-10-9(11-5-6)7-1-2-12-13-7/h1-2,4-5H,3H2,(H,12,13)(H,14,15).
What are the key properties of 2-[2-(1H-pyrazol-5-yl)pyrimidin-5-yl]acetic acid?
2-[2-(1H-pyrazol-5-yl)pyrimidin-5-yl]acetic acid has a molecular weight of 204.19 g/mol, XLogP of 0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1H-pyrazol-5-yl)pyrimidin-5-yl]acetic acid is sourced from PubChem (CID 96618722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).