6-chloro-N-(5-cyano-2-adamantyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C18H18ClN5O — CID 127040451

IUPAC6-chloro-N-(5-cyano-2-adamantyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESN#CC12CC3CC(C1)C(NC(=O)c1cnn4cc(Cl)cnc14)C(C3)C2
InChIInChI=1S/C18H18ClN5O/c19-13-6-21-16-14(7-22-24(16)8-13)17(25)23-15-11-1-10-2-12(15)5-18(3-10,4-11)9-20/h6-8,10-12,15H,1-5H2,(H,23,25)
InChIKeyNQLLXGHLEWXFGL-UHFFFAOYSA-N
MW355.83 g/mol
LogP2.83
Rot. Bonds2

About 6-chloro-N-(5-cyano-2-adamantyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

6-chloro-N-(5-cyano-2-adamantyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 127040451) has the molecular formula C18H18ClN5O and a molecular weight of 355.83 g/mol. Its IUPAC name is 6-chloro-N-(5-cyano-2-adamantyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(5-cyano-2-adamantyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID127040451
Molecular FormulaC18H18ClN5O
Molecular Weight355.83 g/mol
Exact Mass355.12
IUPAC Name6-chloro-N-(5-cyano-2-adamantyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESN#CC12CC3CC(C1)C(NC(=O)c1cnn4cc(Cl)cnc14)C(C3)C2
InChIInChI=1S/C18H18ClN5O/c19-13-6-21-16-14(7-22-24(16)8-13)17(25)23-15-11-1-10-2-12(15)5-18(3-10,4-11)9-20/h6-8,10-12,15H,1-5H2,(H,23,25)
InChIKeyNQLLXGHLEWXFGL-UHFFFAOYSA-N
XLogP2.83
TPSA83.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-chloro-N-(5-cyano-2-adamantyl)pyrazolo[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 6-chloro-N-(5-cyano-2-adamantyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 6-chloro-N-(5-cyano-2-adamantyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 127040451) is 6-chloro-N-(5-cyano-2-adamantyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(5-cyano-2-adamantyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 6-chloro-N-(5-cyano-2-adamantyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is N#CC12CC3CC(C1)C(NC(=O)c1cnn4cc(Cl)cnc14)C(C3)C2.
What is the InChIKey of 6-chloro-N-(5-cyano-2-adamantyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is NQLLXGHLEWXFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5O/c19-13-6-21-16-14(7-22-24(16)8-13)17(25)23-15-11-1-10-2-12(15)5-18(3-10,4-11)9-20/h6-8,10-12,15H,1-5H2,(H,23,25).
What are the key properties of 6-chloro-N-(5-cyano-2-adamantyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
6-chloro-N-(5-cyano-2-adamantyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 355.83 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(5-cyano-2-adamantyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 127040451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).