7-morpholin-4-yl-2-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid

C14H18N4O3 — CID 115055006

IUPAC7-morpholin-4-yl-2-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESCC(C)c1cc2nc(C(=O)O)cc(N3CCOCC3)n2n1
InChIInChI=1S/C14H18N4O3/c1-9(2)10-7-12-15-11(14(19)20)8-13(18(12)16-10)17-3-5-21-6-4-17/h7-9H,3-6H2,1-2H3,(H,19,20)
InChIKeyZQLOMJXDFBHQEX-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.39
Rot. Bonds3

About 7-morpholin-4-yl-2-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid

7-morpholin-4-yl-2-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid (PubChem CID 115055006) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is 7-morpholin-4-yl-2-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name7-morpholin-4-yl-2-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
PubChem CID115055006
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name7-morpholin-4-yl-2-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESCC(C)c1cc2nc(C(=O)O)cc(N3CCOCC3)n2n1
InChIInChI=1S/C14H18N4O3/c1-9(2)10-7-12-15-11(14(19)20)8-13(18(12)16-10)17-3-5-21-6-4-17/h7-9H,3-6H2,1-2H3,(H,19,20)
InChIKeyZQLOMJXDFBHQEX-UHFFFAOYSA-N
XLogP1.39
TPSA79.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 105457173
2-methyl-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine
CID 67064608
morpholin-4-yl-(7-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)methanone
CID 53015026
7-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 115039333
[(3R,5R)-3,5-dimethylpiperidin-1-yl]-(2-morpholin-4-yl-6-propan-2-ylpyrimidin-4-yl)methanone
CID 97416104
5-(2-ethyl-5-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-fluoro-4-methylbenzoic acid
CID 169077644
4-morpholin-4-yl-6-propan-2-ylpyrimidine-2-carbaldehyde
CID 83896564
4-(4-morpholin-4-ylphenyl)-1-(4-morpholin-4-yl-2-pyridinyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126743242
5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-yl-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 166165027
2-ethyl-7-piperidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 115055053
(2,7-dimorpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)hydrazine
CID 70999571
2-(6-morpholin-4-yl-2-pyridinyl)propanoic acid
CID 83897074

Frequently Asked Questions

What is the IUPAC name of 7-morpholin-4-yl-2-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The IUPAC name of 7-morpholin-4-yl-2-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid (CID 115055006) is 7-morpholin-4-yl-2-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 7-morpholin-4-yl-2-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The canonical SMILES for 7-morpholin-4-yl-2-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid is CC(C)c1cc2nc(C(=O)O)cc(N3CCOCC3)n2n1.
What is the InChIKey of 7-morpholin-4-yl-2-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The InChIKey is ZQLOMJXDFBHQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-9(2)10-7-12-15-11(14(19)20)8-13(18(12)16-10)17-3-5-21-6-4-17/h7-9H,3-6H2,1-2H3,(H,19,20).
What are the key properties of 7-morpholin-4-yl-2-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
7-morpholin-4-yl-2-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid has a molecular weight of 290.32 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-morpholin-4-yl-2-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 115055006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).