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

C18H19N5O2 — CID 127037669

IUPAC6-cyano-N-(5-hydroxy-2-adamantyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESN#Cc1cnc2c(C(=O)NC3C4CC5CC3CC(O)(C5)C4)cnn2c1
InChIInChI=1S/C18H19N5O2/c19-6-11-7-20-16-14(8-21-23(16)9-11)17(24)22-15-12-1-10-2-13(15)5-18(25,3-10)4-12/h7-10,12-13,15,25H,1-5H2,(H,22,24)
InChIKeyDWMOKVFALZTBRM-UHFFFAOYSA-N
MW337.38 g/mol
LogP1.27
Rot. Bonds2

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

6-cyano-N-(5-hydroxy-2-adamantyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 127037669) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 6-cyano-N-(5-hydroxy-2-adamantyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name6-cyano-N-(5-hydroxy-2-adamantyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID127037669
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name6-cyano-N-(5-hydroxy-2-adamantyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESN#Cc1cnc2c(C(=O)NC3C4CC5CC3CC(O)(C5)C4)cnn2c1
InChIInChI=1S/C18H19N5O2/c19-6-11-7-20-16-14(8-21-23(16)9-11)17(24)22-15-12-1-10-2-13(15)5-18(25,3-10)4-12/h7-10,12-13,15,25H,1-5H2,(H,22,24)
InChIKeyDWMOKVFALZTBRM-UHFFFAOYSA-N
XLogP1.27
TPSA103.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-cyano-N-(5-hydroxy-2-adamantyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 6-cyano-N-(5-hydroxy-2-adamantyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 127037669) is 6-cyano-N-(5-hydroxy-2-adamantyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 6-cyano-N-(5-hydroxy-2-adamantyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 6-cyano-N-(5-hydroxy-2-adamantyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is N#Cc1cnc2c(C(=O)NC3C4CC5CC3CC(O)(C5)C4)cnn2c1.
What is the InChIKey of 6-cyano-N-(5-hydroxy-2-adamantyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is DWMOKVFALZTBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c19-6-11-7-20-16-14(8-21-23(16)9-11)17(24)22-15-12-1-10-2-13(15)5-18(25,3-10)4-12/h7-10,12-13,15,25H,1-5H2,(H,22,24).
What are the key properties of 6-cyano-N-(5-hydroxy-2-adamantyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
6-cyano-N-(5-hydroxy-2-adamantyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 1.27, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-N-(5-hydroxy-2-adamantyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 127037669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).