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

C18H22N4O2 — CID 127037647

IUPACN-(5-hydroxy-2-adamantyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccn2ncc(C(=O)NC3C4CC5CC3CC(O)(C5)C4)c2n1
InChIInChI=1S/C18H22N4O2/c1-10-2-3-22-16(20-10)14(9-19-22)17(23)21-15-12-4-11-5-13(15)8-18(24,6-11)7-12/h2-3,9,11-13,15,24H,4-8H2,1H3,(H,21,23)
InChIKeyTYIRLXRCNPIKAU-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.71
Rot. Bonds2

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

N-(5-hydroxy-2-adamantyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 127037647) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-(5-hydroxy-2-adamantyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-hydroxy-2-adamantyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID127037647
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC NameN-(5-hydroxy-2-adamantyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccn2ncc(C(=O)NC3C4CC5CC3CC(O)(C5)C4)c2n1
InChIInChI=1S/C18H22N4O2/c1-10-2-3-22-16(20-10)14(9-19-22)17(23)21-15-12-4-11-5-13(15)8-18(24,6-11)7-12/h2-3,9,11-13,15,24H,4-8H2,1H3,(H,21,23)
InChIKeyTYIRLXRCNPIKAU-UHFFFAOYSA-N
XLogP1.71
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(5-hydroxy-2-adamantyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxy-2-adamantyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(5-hydroxy-2-adamantyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 127037647) is N-(5-hydroxy-2-adamantyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(5-hydroxy-2-adamantyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(5-hydroxy-2-adamantyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1ccn2ncc(C(=O)NC3C4CC5CC3CC(O)(C5)C4)c2n1.
What is the InChIKey of N-(5-hydroxy-2-adamantyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is TYIRLXRCNPIKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-10-2-3-22-16(20-10)14(9-19-22)17(23)21-15-12-4-11-5-13(15)8-18(24,6-11)7-12/h2-3,9,11-13,15,24H,4-8H2,1H3,(H,21,23).
What are the key properties of N-(5-hydroxy-2-adamantyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(5-hydroxy-2-adamantyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 1.71, 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)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 127037647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).