4-pyrazolo[1,5-a]pyrimidin-5-yloxythiophene-2-carboxylic acid

C11H7N3O3S — CID 113296835

IUPAC4-pyrazolo[1,5-a]pyrimidin-5-yloxythiophene-2-carboxylic acid
SMILESO=C(O)c1cc(Oc2ccn3nccc3n2)cs1
InChIInChI=1S/C11H7N3O3S/c15-11(16)8-5-7(6-18-8)17-10-2-4-14-9(13-10)1-3-12-14/h1-6H,(H,15,16)
InChIKeyBNQYZOIDDPTSOB-UHFFFAOYSA-N
MW261.26 g/mol
LogP2.28
Rot. Bonds3

About 4-pyrazolo[1,5-a]pyrimidin-5-yloxythiophene-2-carboxylic acid

4-pyrazolo[1,5-a]pyrimidin-5-yloxythiophene-2-carboxylic acid (PubChem CID 113296835) has the molecular formula C11H7N3O3S and a molecular weight of 261.26 g/mol. Its IUPAC name is 4-pyrazolo[1,5-a]pyrimidin-5-yloxythiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-pyrazolo[1,5-a]pyrimidin-5-yloxythiophene-2-carboxylic acid
PubChem CID113296835
Molecular FormulaC11H7N3O3S
Molecular Weight261.26 g/mol
Exact Mass261.02
IUPAC Name4-pyrazolo[1,5-a]pyrimidin-5-yloxythiophene-2-carboxylic acid
SMILESO=C(O)c1cc(Oc2ccn3nccc3n2)cs1
InChIInChI=1S/C11H7N3O3S/c15-11(16)8-5-7(6-18-8)17-10-2-4-14-9(13-10)1-3-12-14/h1-6H,(H,15,16)
InChIKeyBNQYZOIDDPTSOB-UHFFFAOYSA-N
XLogP2.28
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.26
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(6-cyano-2-pyridinyl)oxy]thiophene-2-carboxylic acid
CID 66436274
3-pyrazolo[1,5-a]pyrimidin-5-yloxyaniline
CID 113296761
4-(2,6-dimethylpyrimidin-4-yl)oxythiophene-2-carboxylic acid
CID 66437149
5-(4-bromo-3-fluorophenoxy)pyrazolo[1,5-a]pyrimidine
CID 115372265
5-(4-bromo-3-methylphenoxy)pyrazolo[1,5-a]pyrimidine
CID 83132957
4-(1-methylimidazol-2-yl)oxythiophene-2-carboxylic acid
CID 66438899
(2-fluoro-4-pyrazolo[1,5-a]pyrimidin-5-yloxyphenyl)methanamine
CID 115372967
4-(6-methylpyrimidin-4-yl)oxythiophene-2-carboxylic acid
CID 66437578
4-imidazo[1,2-b]pyridazin-3-ylthiophene-2-carboxylic acid
CID 70876393
4-[(4-methyl-1,3-thiazol-2-yl)oxy]thiophene-2-carboxylic acid
CID 66437150
4-(6-ethyl-2-methylpyrimidin-4-yl)oxythiophene-2-carboxylic acid
CID 66436265
(2-pyrazolo[1,5-a]pyrimidin-5-yloxyphenyl)methanol
CID 107713486

Frequently Asked Questions

What is the IUPAC name of 4-pyrazolo[1,5-a]pyrimidin-5-yloxythiophene-2-carboxylic acid?
The IUPAC name of 4-pyrazolo[1,5-a]pyrimidin-5-yloxythiophene-2-carboxylic acid (CID 113296835) is 4-pyrazolo[1,5-a]pyrimidin-5-yloxythiophene-2-carboxylic acid.
What is the SMILES notation for 4-pyrazolo[1,5-a]pyrimidin-5-yloxythiophene-2-carboxylic acid?
The canonical SMILES for 4-pyrazolo[1,5-a]pyrimidin-5-yloxythiophene-2-carboxylic acid is O=C(O)c1cc(Oc2ccn3nccc3n2)cs1.
What is the InChIKey of 4-pyrazolo[1,5-a]pyrimidin-5-yloxythiophene-2-carboxylic acid?
The InChIKey is BNQYZOIDDPTSOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3O3S/c15-11(16)8-5-7(6-18-8)17-10-2-4-14-9(13-10)1-3-12-14/h1-6H,(H,15,16).
What are the key properties of 4-pyrazolo[1,5-a]pyrimidin-5-yloxythiophene-2-carboxylic acid?
4-pyrazolo[1,5-a]pyrimidin-5-yloxythiophene-2-carboxylic acid has a molecular weight of 261.26 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrazolo[1,5-a]pyrimidin-5-yloxythiophene-2-carboxylic acid is sourced from PubChem (CID 113296835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).