5-(methoxymethyl)-2-(6-methylpyrimidin-4-yl)-1H-pyrazol-3-one

C10H12N4O2 — CID 66020684

IUPAC5-(methoxymethyl)-2-(6-methylpyrimidin-4-yl)-1H-pyrazol-3-one
SMILESCOCc1cc(=O)n(-c2cc(C)ncn2)[nH]1
InChIInChI=1S/C10H12N4O2/c1-7-3-9(12-6-11-7)14-10(15)4-8(13-14)5-16-2/h3-4,6,13H,5H2,1-2H3
InChIKeyWNFLSUSRPHGMSP-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.41
Rot. Bonds3

About 5-(methoxymethyl)-2-(6-methylpyrimidin-4-yl)-1H-pyrazol-3-one

5-(methoxymethyl)-2-(6-methylpyrimidin-4-yl)-1H-pyrazol-3-one (PubChem CID 66020684) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is 5-(methoxymethyl)-2-(6-methylpyrimidin-4-yl)-1H-pyrazol-3-one.

Molecular Properties

Compound Name5-(methoxymethyl)-2-(6-methylpyrimidin-4-yl)-1H-pyrazol-3-one
PubChem CID66020684
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC Name5-(methoxymethyl)-2-(6-methylpyrimidin-4-yl)-1H-pyrazol-3-one
SMILESCOCc1cc(=O)n(-c2cc(C)ncn2)[nH]1
InChIInChI=1S/C10H12N4O2/c1-7-3-9(12-6-11-7)14-10(15)4-8(13-14)5-16-2/h3-4,6,13H,5H2,1-2H3
InChIKeyWNFLSUSRPHGMSP-UHFFFAOYSA-N
XLogP0.41
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-2-(6-methylpyrimidin-4-yl)-1H-pyrazol-3-one?
The IUPAC name of 5-(methoxymethyl)-2-(6-methylpyrimidin-4-yl)-1H-pyrazol-3-one (CID 66020684) is 5-(methoxymethyl)-2-(6-methylpyrimidin-4-yl)-1H-pyrazol-3-one.
What is the SMILES notation for 5-(methoxymethyl)-2-(6-methylpyrimidin-4-yl)-1H-pyrazol-3-one?
The canonical SMILES for 5-(methoxymethyl)-2-(6-methylpyrimidin-4-yl)-1H-pyrazol-3-one is COCc1cc(=O)n(-c2cc(C)ncn2)[nH]1.
What is the InChIKey of 5-(methoxymethyl)-2-(6-methylpyrimidin-4-yl)-1H-pyrazol-3-one?
The InChIKey is WNFLSUSRPHGMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c1-7-3-9(12-6-11-7)14-10(15)4-8(13-14)5-16-2/h3-4,6,13H,5H2,1-2H3.
What are the key properties of 5-(methoxymethyl)-2-(6-methylpyrimidin-4-yl)-1H-pyrazol-3-one?
5-(methoxymethyl)-2-(6-methylpyrimidin-4-yl)-1H-pyrazol-3-one has a molecular weight of 220.23 g/mol, XLogP of 0.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-2-(6-methylpyrimidin-4-yl)-1H-pyrazol-3-one is sourced from PubChem (CID 66020684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).