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

C18H22N4O2 — CID 127037648

IUPACN-(5-hydroxy-2-adamantyl)-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cnc2c(C(=O)NC3C4CC5CC3CC(O)(C5)C4)cnn2c1
InChIInChI=1S/C18H22N4O2/c1-10-7-19-16-14(8-20-22(16)9-10)17(23)21-15-12-2-11-3-13(15)6-18(24,4-11)5-12/h7-9,11-13,15,24H,2-6H2,1H3,(H,21,23)
InChIKeyKQRJTKFFGJSHBR-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.71
Rot. Bonds2

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

N-(5-hydroxy-2-adamantyl)-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 127037648) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-(5-hydroxy-2-adamantyl)-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-hydroxy-2-adamantyl)-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID127037648
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC NameN-(5-hydroxy-2-adamantyl)-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cnc2c(C(=O)NC3C4CC5CC3CC(O)(C5)C4)cnn2c1
InChIInChI=1S/C18H22N4O2/c1-10-7-19-16-14(8-20-22(16)9-10)17(23)21-15-12-2-11-3-13(15)6-18(24,4-11)5-12/h7-9,11-13,15,24H,2-6H2,1H3,(H,21,23)
InChIKeyKQRJTKFFGJSHBR-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

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Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxy-2-adamantyl)-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(5-hydroxy-2-adamantyl)-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 127037648) is N-(5-hydroxy-2-adamantyl)-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(5-hydroxy-2-adamantyl)-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(5-hydroxy-2-adamantyl)-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cnc2c(C(=O)NC3C4CC5CC3CC(O)(C5)C4)cnn2c1.
What is the InChIKey of N-(5-hydroxy-2-adamantyl)-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is KQRJTKFFGJSHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-10-7-19-16-14(8-20-22(16)9-10)17(23)21-15-12-2-11-3-13(15)6-18(24,4-11)5-12/h7-9,11-13,15,24H,2-6H2,1H3,(H,21,23).
What are the key properties of N-(5-hydroxy-2-adamantyl)-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(5-hydroxy-2-adamantyl)-6-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)-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 127037648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).