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

C19H24N4O2 — CID 127037668

IUPAC7-ethyl-N-(5-hydroxy-2-adamantyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCc1ccnc2c(C(=O)NC3C4CC5CC3CC(O)(C5)C4)cnn12
InChIInChI=1S/C19H24N4O2/c1-2-14-3-4-20-17-15(10-21-23(14)17)18(24)22-16-12-5-11-6-13(16)9-19(25,7-11)8-12/h3-4,10-13,16,25H,2,5-9H2,1H3,(H,22,24)
InChIKeyFHJUYUYSMVDNAA-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.96
Rot. Bonds3

About 7-ethyl-N-(5-hydroxy-2-adamantyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

7-ethyl-N-(5-hydroxy-2-adamantyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 127037668) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 7-ethyl-N-(5-hydroxy-2-adamantyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-ethyl-N-(5-hydroxy-2-adamantyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID127037668
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name7-ethyl-N-(5-hydroxy-2-adamantyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCc1ccnc2c(C(=O)NC3C4CC5CC3CC(O)(C5)C4)cnn12
InChIInChI=1S/C19H24N4O2/c1-2-14-3-4-20-17-15(10-21-23(14)17)18(24)22-16-12-5-11-6-13(16)9-19(25,7-11)8-12/h3-4,10-13,16,25H,2,5-9H2,1H3,(H,22,24)
InChIKeyFHJUYUYSMVDNAA-UHFFFAOYSA-N
XLogP1.96
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-N-(5-hydroxy-2-adamantyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-ethyl-N-(5-hydroxy-2-adamantyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 127037668) is 7-ethyl-N-(5-hydroxy-2-adamantyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-ethyl-N-(5-hydroxy-2-adamantyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-ethyl-N-(5-hydroxy-2-adamantyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CCc1ccnc2c(C(=O)NC3C4CC5CC3CC(O)(C5)C4)cnn12.
What is the InChIKey of 7-ethyl-N-(5-hydroxy-2-adamantyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is FHJUYUYSMVDNAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-2-14-3-4-20-17-15(10-21-23(14)17)18(24)22-16-12-5-11-6-13(16)9-19(25,7-11)8-12/h3-4,10-13,16,25H,2,5-9H2,1H3,(H,22,24).
What are the key properties of 7-ethyl-N-(5-hydroxy-2-adamantyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
7-ethyl-N-(5-hydroxy-2-adamantyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-N-(5-hydroxy-2-adamantyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 127037668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).