5-(1,4-oxazepan-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

C12H14N4O3 — CID 146599734

IUPAC5-(1,4-oxazepan-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1cc2nc(N3CCCOCC3)ccn2n1
InChIInChI=1S/C12H14N4O3/c17-12(18)9-8-11-13-10(2-4-16(11)14-9)15-3-1-6-19-7-5-15/h2,4,8H,1,3,5-7H2,(H,17,18)
InChIKeyJMLBISKIUAAMOF-UHFFFAOYSA-N
MW262.27 g/mol
LogP0.65
Rot. Bonds2

About 5-(1,4-oxazepan-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

5-(1,4-oxazepan-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (PubChem CID 146599734) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is 5-(1,4-oxazepan-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name5-(1,4-oxazepan-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
PubChem CID146599734
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC Name5-(1,4-oxazepan-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1cc2nc(N3CCCOCC3)ccn2n1
InChIInChI=1S/C12H14N4O3/c17-12(18)9-8-11-13-10(2-4-16(11)14-9)15-3-1-6-19-7-5-15/h2,4,8H,1,3,5-7H2,(H,17,18)
InChIKeyJMLBISKIUAAMOF-UHFFFAOYSA-N
XLogP0.65
TPSA79.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 146599876
6-(1,4-oxazepan-4-yl)pyridazine-3-carboxylic acid
CID 62973875
1-[5-(1,4-oxazepan-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone
CID 157339662
2-chloro-6-(1,4-oxazepan-4-yl)pyridine-4-carboxylic acid
CID 55139980
7-morpholin-4-ylimidazo[1,2-a]pyrimidine-3-carboxylic acid
CID 56648965
5-(4,4-difluoro-2-oxo-3,3a,5,6,7,7a-hexahydrobenzimidazol-1-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 146599190
4-(2-chloropyrimidin-4-yl)-1,4-oxazepane
CID 62968346
5-nitro-6-(1,4-oxazepan-4-yl)pyridine-2-carboxylic acid
CID 114404068
[2-(1,4-oxazepan-4-yl)quinolin-4-yl]methanol
CID 62973118
4-(9-pyrrolidin-1-yl-1,10-phenanthrolin-2-yl)morpholine
CID 176548594
3-(5-morpholin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanoic acid
CID 69225392
6-morpholin-4-yl-2-pyridin-4-ylpyrimidine-4-carboxylic acid
CID 82170295

Frequently Asked Questions

What is the IUPAC name of 5-(1,4-oxazepan-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The IUPAC name of 5-(1,4-oxazepan-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (CID 146599734) is 5-(1,4-oxazepan-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 5-(1,4-oxazepan-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The canonical SMILES for 5-(1,4-oxazepan-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid is O=C(O)c1cc2nc(N3CCCOCC3)ccn2n1.
What is the InChIKey of 5-(1,4-oxazepan-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The InChIKey is JMLBISKIUAAMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c17-12(18)9-8-11-13-10(2-4-16(11)14-9)15-3-1-6-19-7-5-15/h2,4,8H,1,3,5-7H2,(H,17,18).
What are the key properties of 5-(1,4-oxazepan-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
5-(1,4-oxazepan-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid has a molecular weight of 262.27 g/mol, XLogP of 0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,4-oxazepan-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 146599734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).