5-methyl-4-(1H-pyrazol-4-yl)-1H-pyrimidin-6-one

C8H8N4O — CID 170571459

IUPAC5-methyl-4-(1H-pyrazol-4-yl)-1H-pyrimidin-6-one
SMILESCc1c(-c2cn[nH]c2)nc[nH]c1=O
InChIInChI=1S/C8H8N4O/c1-5-7(6-2-11-12-3-6)9-4-10-8(5)13/h2-4H,1H3,(H,11,12)(H,9,10,13)
InChIKeyYJVKZJMEBJXTNU-UHFFFAOYSA-N
MW176.18 g/mol
LogP0.47
Rot. Bonds1

About 5-methyl-4-(1H-pyrazol-4-yl)-1H-pyrimidin-6-one

5-methyl-4-(1H-pyrazol-4-yl)-1H-pyrimidin-6-one (PubChem CID 170571459) has the molecular formula C8H8N4O and a molecular weight of 176.18 g/mol. Its IUPAC name is 5-methyl-4-(1H-pyrazol-4-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methyl-4-(1H-pyrazol-4-yl)-1H-pyrimidin-6-one
PubChem CID170571459
Molecular FormulaC8H8N4O
Molecular Weight176.18 g/mol
Exact Mass176.07
IUPAC Name5-methyl-4-(1H-pyrazol-4-yl)-1H-pyrimidin-6-one
SMILESCc1c(-c2cn[nH]c2)nc[nH]c1=O
InChIInChI=1S/C8H8N4O/c1-5-7(6-2-11-12-3-6)9-4-10-8(5)13/h2-4H,1H3,(H,11,12)(H,9,10,13)
InChIKeyYJVKZJMEBJXTNU-UHFFFAOYSA-N
XLogP0.47
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(1H-pyrazol-4-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-methyl-4-(1H-pyrazol-4-yl)-1H-pyrimidin-6-one (CID 170571459) is 5-methyl-4-(1H-pyrazol-4-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methyl-4-(1H-pyrazol-4-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-methyl-4-(1H-pyrazol-4-yl)-1H-pyrimidin-6-one is Cc1c(-c2cn[nH]c2)nc[nH]c1=O.
What is the InChIKey of 5-methyl-4-(1H-pyrazol-4-yl)-1H-pyrimidin-6-one?
The InChIKey is YJVKZJMEBJXTNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O/c1-5-7(6-2-11-12-3-6)9-4-10-8(5)13/h2-4H,1H3,(H,11,12)(H,9,10,13).
What are the key properties of 5-methyl-4-(1H-pyrazol-4-yl)-1H-pyrimidin-6-one?
5-methyl-4-(1H-pyrazol-4-yl)-1H-pyrimidin-6-one has a molecular weight of 176.18 g/mol, XLogP of 0.47, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(1H-pyrazol-4-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 170571459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).