7-(methoxymethyl)-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

C9H9N3O4 — CID 137004160

IUPAC7-(methoxymethyl)-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESCOCc1cc(=O)[nH]c2cc(C(=O)O)nn12
InChIInChI=1S/C9H9N3O4/c1-16-4-5-2-8(13)10-7-3-6(9(14)15)11-12(5)7/h2-3H,4H2,1H3,(H,10,13)(H,14,15)
InChIKeyCGXALBMGQQJBHF-UHFFFAOYSA-N
MW223.19 g/mol
LogP-0.13
Rot. Bonds3

About 7-(methoxymethyl)-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

7-(methoxymethyl)-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (PubChem CID 137004160) has the molecular formula C9H9N3O4 and a molecular weight of 223.19 g/mol. Its IUPAC name is 7-(methoxymethyl)-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name7-(methoxymethyl)-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
PubChem CID137004160
Molecular FormulaC9H9N3O4
Molecular Weight223.19 g/mol
Exact Mass223.06
IUPAC Name7-(methoxymethyl)-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESCOCc1cc(=O)[nH]c2cc(C(=O)O)nn12
InChIInChI=1S/C9H9N3O4/c1-16-4-5-2-8(13)10-7-3-6(9(14)15)11-12(5)7/h2-3H,4H2,1H3,(H,10,13)(H,14,15)
InChIKeyCGXALBMGQQJBHF-UHFFFAOYSA-N
XLogP-0.13
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.19
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-7-(methoxymethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
CID 137004097
1-(4-fluorophenyl)-5-(methoxymethyl)pyrazole-3-carboxylic acid
CID 82362057
3-bromo-7-(methoxymethyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one
CID 137224852
1-(4-hydroxyphenyl)-5-(methoxymethyl)pyrazole-3-carboxylic acid
CID 82362040
ethyl 6,7-dimethyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 137004177
1-(2-ethylphenyl)-5-(methoxymethyl)pyrazole-3-carboxylic acid
CID 82362041
5-oxo-6,7,8,9-tetrahydro-4H-pyrazolo[1,5-a]quinazoline-2-carboxylic acid
CID 137015338
5-[2,5-difluoro-4-(methoxymethyl)phenyl]-1-methylpyrazole-3-carboxylic acid
CID 117453354
2-(methoxymethyl)-4-methyl-6-oxo-1H-pyridine-3-carboxylic acid
CID 82399157
5-[(4-methoxyphenoxy)methyl]-1-methylpyrazole-3-carboxylic acid
CID 82090734
1-methyl-5-(sulfanylmethyl)pyrazole-3-carboxylic acid
CID 117217191
5-methoxycarbonyl-1-propan-2-ylpyrazole-3-carboxylic acid
CID 117218592

Frequently Asked Questions

What is the IUPAC name of 7-(methoxymethyl)-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The IUPAC name of 7-(methoxymethyl)-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (CID 137004160) is 7-(methoxymethyl)-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 7-(methoxymethyl)-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The canonical SMILES for 7-(methoxymethyl)-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid is COCc1cc(=O)[nH]c2cc(C(=O)O)nn12.
What is the InChIKey of 7-(methoxymethyl)-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The InChIKey is CGXALBMGQQJBHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O4/c1-16-4-5-2-8(13)10-7-3-6(9(14)15)11-12(5)7/h2-3H,4H2,1H3,(H,10,13)(H,14,15).
What are the key properties of 7-(methoxymethyl)-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
7-(methoxymethyl)-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid has a molecular weight of 223.19 g/mol, XLogP of -0.13, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(methoxymethyl)-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 137004160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).