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

C20H23N5O — CID 127040449

IUPACN-(5-cyano-2-adamantyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(C)n2ncc(C(=O)NC3C4CC5CC3CC(C#N)(C5)C4)c2n1
InChIInChI=1S/C20H23N5O/c1-11-3-12(2)25-18(23-11)16(9-22-25)19(26)24-17-14-4-13-5-15(17)8-20(6-13,7-14)10-21/h3,9,13-15,17H,4-8H2,1-2H3,(H,24,26)
InChIKeyQXUVBTDTKWYRAZ-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.79
Rot. Bonds2

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

N-(5-cyano-2-adamantyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 127040449) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is N-(5-cyano-2-adamantyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-cyano-2-adamantyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID127040449
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC NameN-(5-cyano-2-adamantyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(C)n2ncc(C(=O)NC3C4CC5CC3CC(C#N)(C5)C4)c2n1
InChIInChI=1S/C20H23N5O/c1-11-3-12(2)25-18(23-11)16(9-22-25)19(26)24-17-14-4-13-5-15(17)8-20(6-13,7-14)10-21/h3,9,13-15,17H,4-8H2,1-2H3,(H,24,26)
InChIKeyQXUVBTDTKWYRAZ-UHFFFAOYSA-N
XLogP2.79
TPSA83.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-2-adamantyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(5-cyano-2-adamantyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 127040449) is N-(5-cyano-2-adamantyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(5-cyano-2-adamantyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(5-cyano-2-adamantyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cc(C)n2ncc(C(=O)NC3C4CC5CC3CC(C#N)(C5)C4)c2n1.
What is the InChIKey of N-(5-cyano-2-adamantyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is QXUVBTDTKWYRAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-11-3-12(2)25-18(23-11)16(9-22-25)19(26)24-17-14-4-13-5-15(17)8-20(6-13,7-14)10-21/h3,9,13-15,17H,4-8H2,1-2H3,(H,24,26).
What are the key properties of N-(5-cyano-2-adamantyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(5-cyano-2-adamantyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 349.44 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-2-adamantyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 127040449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).