fluoro 6-fluoro-7-hydroxy-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate

C7H3F2N3O4 — CID 155745860

IUPACfluoro 6-fluoro-7-hydroxy-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESO=C(OF)c1cnn2c(O)c(F)c(=O)[nH]c12
InChIInChI=1S/C7H3F2N3O4/c8-3-5(13)11-4-2(7(15)16-9)1-10-12(4)6(3)14/h1,14H,(H,11,13)
InChIKeyBMAMVDSQTGTUHG-UHFFFAOYSA-N
MW231.11 g/mol
LogP-0.09
Rot. Bonds1

About fluoro 6-fluoro-7-hydroxy-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate

fluoro 6-fluoro-7-hydroxy-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate (PubChem CID 155745860) has the molecular formula C7H3F2N3O4 and a molecular weight of 231.11 g/mol. Its IUPAC name is fluoro 6-fluoro-7-hydroxy-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate.

Molecular Properties

Compound Namefluoro 6-fluoro-7-hydroxy-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate
PubChem CID155745860
Molecular FormulaC7H3F2N3O4
Molecular Weight231.11 g/mol
Exact Mass231.01
IUPAC Namefluoro 6-fluoro-7-hydroxy-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESO=C(OF)c1cnn2c(O)c(F)c(=O)[nH]c12
InChIInChI=1S/C7H3F2N3O4/c8-3-5(13)11-4-2(7(15)16-9)1-10-12(4)6(3)14/h1,14H,(H,11,13)
InChIKeyBMAMVDSQTGTUHG-UHFFFAOYSA-N
XLogP-0.09
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.11
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 7-ethyl-6-methyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 137004216
6-(2,4-dichlorophenyl)-7-hydroxy-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 141148742
tert-butyl 6-methyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 135741880
5-fluoro-6-hydroxy-1-(1-pyridin-4-ylethyl)pyrimidine-2,4-dione
CID 112599316
7-hydroxy-6-(2-hydroxyethyl)-3-methyl-4H-pyrazolo[1,5-a]pyrimidin-5-one
CID 135979332
7-methyl-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxylic acid
CID 135723021
3-(azepane-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one
CID 135925375
2,2,2-trifluoroethyl 5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate;hydrochloride
CID 137251800
N-[(2-hydroxycyclopentyl)methyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide
CID 136697105
N-benzyl-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide
CID 135925373
3-(piperazine-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one
CID 135925377
7-tert-butyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 137004182

Frequently Asked Questions

What is the IUPAC name of fluoro 6-fluoro-7-hydroxy-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The IUPAC name of fluoro 6-fluoro-7-hydroxy-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate (CID 155745860) is fluoro 6-fluoro-7-hydroxy-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate.
What is the SMILES notation for fluoro 6-fluoro-7-hydroxy-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The canonical SMILES for fluoro 6-fluoro-7-hydroxy-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate is O=C(OF)c1cnn2c(O)c(F)c(=O)[nH]c12.
What is the InChIKey of fluoro 6-fluoro-7-hydroxy-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The InChIKey is BMAMVDSQTGTUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F2N3O4/c8-3-5(13)11-4-2(7(15)16-9)1-10-12(4)6(3)14/h1,14H,(H,11,13).
What are the key properties of fluoro 6-fluoro-7-hydroxy-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate?
fluoro 6-fluoro-7-hydroxy-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate has a molecular weight of 231.11 g/mol, XLogP of -0.09, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 6-fluoro-7-hydroxy-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 155745860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).