6-chloro-N-(5-hydroxy-2-adamantyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C17H19ClN4O2 — CID 127037989

IUPAC6-chloro-N-(5-hydroxy-2-adamantyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NC1C2CC3CC1CC(O)(C3)C2)c1cnn2cc(Cl)cnc12
InChIInChI=1S/C17H19ClN4O2/c18-12-6-19-15-13(7-20-22(15)8-12)16(23)21-14-10-1-9-2-11(14)5-17(24,3-9)4-10/h6-11,14,24H,1-5H2,(H,21,23)
InChIKeyDGDQOORHICKNFV-UHFFFAOYSA-N
MW346.82 g/mol
LogP2.05
Rot. Bonds2

About 6-chloro-N-(5-hydroxy-2-adamantyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

6-chloro-N-(5-hydroxy-2-adamantyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 127037989) has the molecular formula C17H19ClN4O2 and a molecular weight of 346.82 g/mol. Its IUPAC name is 6-chloro-N-(5-hydroxy-2-adamantyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(5-hydroxy-2-adamantyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID127037989
Molecular FormulaC17H19ClN4O2
Molecular Weight346.82 g/mol
Exact Mass346.12
IUPAC Name6-chloro-N-(5-hydroxy-2-adamantyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NC1C2CC3CC1CC(O)(C3)C2)c1cnn2cc(Cl)cnc12
InChIInChI=1S/C17H19ClN4O2/c18-12-6-19-15-13(7-20-22(15)8-12)16(23)21-14-10-1-9-2-11(14)5-17(24,3-9)4-10/h6-11,14,24H,1-5H2,(H,21,23)
InChIKeyDGDQOORHICKNFV-UHFFFAOYSA-N
XLogP2.05
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(5-hydroxy-2-adamantyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 6-chloro-N-(5-hydroxy-2-adamantyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 127037989) is 6-chloro-N-(5-hydroxy-2-adamantyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(5-hydroxy-2-adamantyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 6-chloro-N-(5-hydroxy-2-adamantyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(NC1C2CC3CC1CC(O)(C3)C2)c1cnn2cc(Cl)cnc12.
What is the InChIKey of 6-chloro-N-(5-hydroxy-2-adamantyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is DGDQOORHICKNFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O2/c18-12-6-19-15-13(7-20-22(15)8-12)16(23)21-14-10-1-9-2-11(14)5-17(24,3-9)4-10/h6-11,14,24H,1-5H2,(H,21,23).
What are the key properties of 6-chloro-N-(5-hydroxy-2-adamantyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
6-chloro-N-(5-hydroxy-2-adamantyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 346.82 g/mol, XLogP of 2.05, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(5-hydroxy-2-adamantyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 127037989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).