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

C20H23N5O2 — CID 127040764

IUPACN-(5-cyano-2-adamantyl)-6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESN#CC12CC3CC(C1)C(NC(=O)c1cnn4cc(CCO)cnc14)C(C3)C2
InChIInChI=1S/C20H23N5O2/c21-11-20-5-13-3-14(6-20)17(15(4-13)7-20)24-19(27)16-9-23-25-10-12(1-2-26)8-22-18(16)25/h8-10,13-15,17,26H,1-7H2,(H,24,27)
InChIKeyRHKYVIRASHBZCS-UHFFFAOYSA-N
MW365.44 g/mol
LogP1.71
Rot. Bonds4

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

N-(5-cyano-2-adamantyl)-6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 127040764) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is N-(5-cyano-2-adamantyl)-6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-cyano-2-adamantyl)-6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID127040764
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC NameN-(5-cyano-2-adamantyl)-6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESN#CC12CC3CC(C1)C(NC(=O)c1cnn4cc(CCO)cnc14)C(C3)C2
InChIInChI=1S/C20H23N5O2/c21-11-20-5-13-3-14(6-20)17(15(4-13)7-20)24-19(27)16-9-23-25-10-12(1-2-26)8-22-18(16)25/h8-10,13-15,17,26H,1-7H2,(H,24,27)
InChIKeyRHKYVIRASHBZCS-UHFFFAOYSA-N
XLogP1.71
TPSA103.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-2-adamantyl)-6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(5-cyano-2-adamantyl)-6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 127040764) is N-(5-cyano-2-adamantyl)-6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(5-cyano-2-adamantyl)-6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(5-cyano-2-adamantyl)-6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is N#CC12CC3CC(C1)C(NC(=O)c1cnn4cc(CCO)cnc14)C(C3)C2.
What is the InChIKey of N-(5-cyano-2-adamantyl)-6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is RHKYVIRASHBZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c21-11-20-5-13-3-14(6-20)17(15(4-13)7-20)24-19(27)16-9-23-25-10-12(1-2-26)8-22-18(16)25/h8-10,13-15,17,26H,1-7H2,(H,24,27).
What are the key properties of N-(5-cyano-2-adamantyl)-6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(5-cyano-2-adamantyl)-6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 365.44 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-2-adamantyl)-6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 127040764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).