3-(methoxymethyl)-1-methyl-5-pyrimidin-5-ylpyrazole-4-carboxylic acid

C11H12N4O3 — CID 146371914

IUPAC3-(methoxymethyl)-1-methyl-5-pyrimidin-5-ylpyrazole-4-carboxylic acid
SMILESCOCc1nn(C)c(-c2cncnc2)c1C(=O)O
InChIInChI=1S/C11H12N4O3/c1-15-10(7-3-12-6-13-4-7)9(11(16)17)8(14-15)5-18-2/h3-4,6H,5H2,1-2H3,(H,16,17)
InChIKeyHHKLPNJHSKEDFH-UHFFFAOYSA-N
MW248.24 g/mol
LogP0.72
Rot. Bonds4

About 3-(methoxymethyl)-1-methyl-5-pyrimidin-5-ylpyrazole-4-carboxylic acid

3-(methoxymethyl)-1-methyl-5-pyrimidin-5-ylpyrazole-4-carboxylic acid (PubChem CID 146371914) has the molecular formula C11H12N4O3 and a molecular weight of 248.24 g/mol. Its IUPAC name is 3-(methoxymethyl)-1-methyl-5-pyrimidin-5-ylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name3-(methoxymethyl)-1-methyl-5-pyrimidin-5-ylpyrazole-4-carboxylic acid
PubChem CID146371914
Molecular FormulaC11H12N4O3
Molecular Weight248.24 g/mol
Exact Mass248.09
IUPAC Name3-(methoxymethyl)-1-methyl-5-pyrimidin-5-ylpyrazole-4-carboxylic acid
SMILESCOCc1nn(C)c(-c2cncnc2)c1C(=O)O
InChIInChI=1S/C11H12N4O3/c1-15-10(7-3-12-6-13-4-7)9(11(16)17)8(14-15)5-18-2/h3-4,6H,5H2,1-2H3,(H,16,17)
InChIKeyHHKLPNJHSKEDFH-UHFFFAOYSA-N
XLogP0.72
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-1-methyl-5-pyrimidin-5-ylpyrazole-4-carboxylic acid?
The IUPAC name of 3-(methoxymethyl)-1-methyl-5-pyrimidin-5-ylpyrazole-4-carboxylic acid (CID 146371914) is 3-(methoxymethyl)-1-methyl-5-pyrimidin-5-ylpyrazole-4-carboxylic acid.
What is the SMILES notation for 3-(methoxymethyl)-1-methyl-5-pyrimidin-5-ylpyrazole-4-carboxylic acid?
The canonical SMILES for 3-(methoxymethyl)-1-methyl-5-pyrimidin-5-ylpyrazole-4-carboxylic acid is COCc1nn(C)c(-c2cncnc2)c1C(=O)O.
What is the InChIKey of 3-(methoxymethyl)-1-methyl-5-pyrimidin-5-ylpyrazole-4-carboxylic acid?
The InChIKey is HHKLPNJHSKEDFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3/c1-15-10(7-3-12-6-13-4-7)9(11(16)17)8(14-15)5-18-2/h3-4,6H,5H2,1-2H3,(H,16,17).
What are the key properties of 3-(methoxymethyl)-1-methyl-5-pyrimidin-5-ylpyrazole-4-carboxylic acid?
3-(methoxymethyl)-1-methyl-5-pyrimidin-5-ylpyrazole-4-carboxylic acid has a molecular weight of 248.24 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-1-methyl-5-pyrimidin-5-ylpyrazole-4-carboxylic acid is sourced from PubChem (CID 146371914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).