5-(4-chlorophenyl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid

C17H15ClN4O3 — CID 10451059

IUPAC5-(4-chlorophenyl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1cc2nc(-c3ccc(Cl)cc3)cc(N3CCOCC3)n2n1
InChIInChI=1S/C17H15ClN4O3/c18-12-3-1-11(2-4-12)13-10-16(21-5-7-25-8-6-21)22-15(19-13)9-14(20-22)17(23)24/h1-4,9-10H,5-8H2,(H,23,24)
InChIKeyMIJUCPCGOLQMJN-UHFFFAOYSA-N
MW358.79 g/mol
LogP2.58
Rot. Bonds3

About 5-(4-chlorophenyl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid

5-(4-chlorophenyl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid (PubChem CID 10451059) has the molecular formula C17H15ClN4O3 and a molecular weight of 358.79 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name5-(4-chlorophenyl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
PubChem CID10451059
Molecular FormulaC17H15ClN4O3
Molecular Weight358.79 g/mol
Exact Mass358.08
IUPAC Name5-(4-chlorophenyl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1cc2nc(-c3ccc(Cl)cc3)cc(N3CCOCC3)n2n1
InChIInChI=1S/C17H15ClN4O3/c18-12-3-1-11(2-4-12)13-10-16(21-5-7-25-8-6-21)22-15(19-13)9-14(20-22)17(23)24/h1-4,9-10H,5-8H2,(H,23,24)
InChIKeyMIJUCPCGOLQMJN-UHFFFAOYSA-N
XLogP2.58
TPSA79.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.79
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The IUPAC name of 5-(4-chlorophenyl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid (CID 10451059) is 5-(4-chlorophenyl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 5-(4-chlorophenyl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The canonical SMILES for 5-(4-chlorophenyl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid is O=C(O)c1cc2nc(-c3ccc(Cl)cc3)cc(N3CCOCC3)n2n1.
What is the InChIKey of 5-(4-chlorophenyl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The InChIKey is MIJUCPCGOLQMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O3/c18-12-3-1-11(2-4-12)13-10-16(21-5-7-25-8-6-21)22-15(19-13)9-14(20-22)17(23)24/h1-4,9-10H,5-8H2,(H,23,24).
What are the key properties of 5-(4-chlorophenyl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
5-(4-chlorophenyl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid has a molecular weight of 358.79 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 10451059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).