4-hydroxy-2-(1-methylpyrazol-3-yl)-1H-pyrimidin-6-one

C8H8N4O2 — CID 65195182

IUPAC4-hydroxy-2-(1-methylpyrazol-3-yl)-1H-pyrimidin-6-one
SMILESCn1ccc(-c2nc(O)cc(=O)[nH]2)n1
InChIInChI=1S/C8H8N4O2/c1-12-3-2-5(11-12)8-9-6(13)4-7(14)10-8/h2-4H,1H3,(H2,9,10,13,14)
InChIKeyPQOYPEIGZHAMHP-UHFFFAOYSA-N
MW192.18 g/mol
LogP-0.12
Rot. Bonds1

About 4-hydroxy-2-(1-methylpyrazol-3-yl)-1H-pyrimidin-6-one

4-hydroxy-2-(1-methylpyrazol-3-yl)-1H-pyrimidin-6-one (PubChem CID 65195182) has the molecular formula C8H8N4O2 and a molecular weight of 192.18 g/mol. Its IUPAC name is 4-hydroxy-2-(1-methylpyrazol-3-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-2-(1-methylpyrazol-3-yl)-1H-pyrimidin-6-one
PubChem CID65195182
Molecular FormulaC8H8N4O2
Molecular Weight192.18 g/mol
Exact Mass192.06
IUPAC Name4-hydroxy-2-(1-methylpyrazol-3-yl)-1H-pyrimidin-6-one
SMILESCn1ccc(-c2nc(O)cc(=O)[nH]2)n1
InChIInChI=1S/C8H8N4O2/c1-12-3-2-5(11-12)8-9-6(13)4-7(14)10-8/h2-4H,1H3,(H2,9,10,13,14)
InChIKeyPQOYPEIGZHAMHP-UHFFFAOYSA-N
XLogP-0.12
TPSA83.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(1-methylpyrazol-3-yl)-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-2-(1-methylpyrazol-3-yl)-1H-pyrimidin-6-one (CID 65195182) is 4-hydroxy-2-(1-methylpyrazol-3-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-2-(1-methylpyrazol-3-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-2-(1-methylpyrazol-3-yl)-1H-pyrimidin-6-one is Cn1ccc(-c2nc(O)cc(=O)[nH]2)n1.
What is the InChIKey of 4-hydroxy-2-(1-methylpyrazol-3-yl)-1H-pyrimidin-6-one?
The InChIKey is PQOYPEIGZHAMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O2/c1-12-3-2-5(11-12)8-9-6(13)4-7(14)10-8/h2-4H,1H3,(H2,9,10,13,14).
What are the key properties of 4-hydroxy-2-(1-methylpyrazol-3-yl)-1H-pyrimidin-6-one?
4-hydroxy-2-(1-methylpyrazol-3-yl)-1H-pyrimidin-6-one has a molecular weight of 192.18 g/mol, XLogP of -0.12, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(1-methylpyrazol-3-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 65195182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).