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

C17H20N4O2 — CID 127037645

IUPACN-(5-hydroxy-2-adamantyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NC1C2CC3CC1CC(O)(C3)C2)c1cnn2cccnc12
InChIInChI=1S/C17H20N4O2/c22-16(13-9-19-21-3-1-2-18-15(13)21)20-14-11-4-10-5-12(14)8-17(23,6-10)7-11/h1-3,9-12,14,23H,4-8H2,(H,20,22)
InChIKeyCWVYCDYVMBHOAE-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.40
Rot. Bonds2

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

N-(5-hydroxy-2-adamantyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 127037645) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-(5-hydroxy-2-adamantyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-hydroxy-2-adamantyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID127037645
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC NameN-(5-hydroxy-2-adamantyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NC1C2CC3CC1CC(O)(C3)C2)c1cnn2cccnc12
InChIInChI=1S/C17H20N4O2/c22-16(13-9-19-21-3-1-2-18-15(13)21)20-14-11-4-10-5-12(14)8-17(23,6-10)7-11/h1-3,9-12,14,23H,4-8H2,(H,20,22)
InChIKeyCWVYCDYVMBHOAE-UHFFFAOYSA-N
XLogP1.40
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxy-2-adamantyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(5-hydroxy-2-adamantyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 127037645) is N-(5-hydroxy-2-adamantyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(5-hydroxy-2-adamantyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(5-hydroxy-2-adamantyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(NC1C2CC3CC1CC(O)(C3)C2)c1cnn2cccnc12.
What is the InChIKey of N-(5-hydroxy-2-adamantyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is CWVYCDYVMBHOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c22-16(13-9-19-21-3-1-2-18-15(13)21)20-14-11-4-10-5-12(14)8-17(23,6-10)7-11/h1-3,9-12,14,23H,4-8H2,(H,20,22).
What are the key properties of N-(5-hydroxy-2-adamantyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(5-hydroxy-2-adamantyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 1.40, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxy-2-adamantyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 127037645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).