N-(5-cyano-2-adamantyl)-5-(methoxymethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C21H25N5O2 — CID 127038025

IUPACN-(5-cyano-2-adamantyl)-5-(methoxymethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOCc1cc(C)n2ncc(C(=O)NC3C4CC5CC3CC(C#N)(C5)C4)c2n1
InChIInChI=1S/C21H25N5O2/c1-12-3-16(10-28-2)24-19-17(9-23-26(12)19)20(27)25-18-14-4-13-5-15(18)8-21(6-13,7-14)11-22/h3,9,13-15,18H,4-8,10H2,1-2H3,(H,25,27)
InChIKeyYZOQLGWRJMNOQU-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.63
Rot. Bonds4

About N-(5-cyano-2-adamantyl)-5-(methoxymethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(5-cyano-2-adamantyl)-5-(methoxymethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 127038025) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-(5-cyano-2-adamantyl)-5-(methoxymethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-cyano-2-adamantyl)-5-(methoxymethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID127038025
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC NameN-(5-cyano-2-adamantyl)-5-(methoxymethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOCc1cc(C)n2ncc(C(=O)NC3C4CC5CC3CC(C#N)(C5)C4)c2n1
InChIInChI=1S/C21H25N5O2/c1-12-3-16(10-28-2)24-19-17(9-23-26(12)19)20(27)25-18-14-4-13-5-15(18)8-21(6-13,7-14)11-22/h3,9,13-15,18H,4-8,10H2,1-2H3,(H,25,27)
InChIKeyYZOQLGWRJMNOQU-UHFFFAOYSA-N
XLogP2.63
TPSA92.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-2-adamantyl)-5-(methoxymethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(5-cyano-2-adamantyl)-5-(methoxymethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 127038025) is N-(5-cyano-2-adamantyl)-5-(methoxymethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(5-cyano-2-adamantyl)-5-(methoxymethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(5-cyano-2-adamantyl)-5-(methoxymethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is COCc1cc(C)n2ncc(C(=O)NC3C4CC5CC3CC(C#N)(C5)C4)c2n1.
What is the InChIKey of N-(5-cyano-2-adamantyl)-5-(methoxymethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is YZOQLGWRJMNOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-12-3-16(10-28-2)24-19-17(9-23-26(12)19)20(27)25-18-14-4-13-5-15(18)8-21(6-13,7-14)11-22/h3,9,13-15,18H,4-8,10H2,1-2H3,(H,25,27).
What are the key properties of N-(5-cyano-2-adamantyl)-5-(methoxymethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(5-cyano-2-adamantyl)-5-(methoxymethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-2-adamantyl)-5-(methoxymethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 127038025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).