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

C19H24N4O2 — CID 127040447

IUPACN-(5-methoxy-2-adamantyl)-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOC12CC3CC(C1)C(NC(=O)c1cnn4cc(C)cnc14)C(C3)C2
InChIInChI=1S/C19H24N4O2/c1-11-8-20-17-15(9-21-23(17)10-11)18(24)22-16-13-3-12-4-14(16)7-19(5-12,6-13)25-2/h8-10,12-14,16H,3-7H2,1-2H3,(H,22,24)
InChIKeyLRGMMTLUJJEESC-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.36
Rot. Bonds3

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

N-(5-methoxy-2-adamantyl)-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 127040447) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-(5-methoxy-2-adamantyl)-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-methoxy-2-adamantyl)-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID127040447
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-(5-methoxy-2-adamantyl)-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOC12CC3CC(C1)C(NC(=O)c1cnn4cc(C)cnc14)C(C3)C2
InChIInChI=1S/C19H24N4O2/c1-11-8-20-17-15(9-21-23(17)10-11)18(24)22-16-13-3-12-4-14(16)7-19(5-12,6-13)25-2/h8-10,12-14,16H,3-7H2,1-2H3,(H,22,24)
InChIKeyLRGMMTLUJJEESC-UHFFFAOYSA-N
XLogP2.36
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-methoxy-2-adamantyl)-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(5-methoxy-2-adamantyl)-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 127040447) is N-(5-methoxy-2-adamantyl)-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(5-methoxy-2-adamantyl)-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(5-methoxy-2-adamantyl)-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is COC12CC3CC(C1)C(NC(=O)c1cnn4cc(C)cnc14)C(C3)C2.
What is the InChIKey of N-(5-methoxy-2-adamantyl)-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is LRGMMTLUJJEESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-11-8-20-17-15(9-21-23(17)10-11)18(24)22-16-13-3-12-4-14(16)7-19(5-12,6-13)25-2/h8-10,12-14,16H,3-7H2,1-2H3,(H,22,24).
What are the key properties of N-(5-methoxy-2-adamantyl)-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(5-methoxy-2-adamantyl)-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methoxy-2-adamantyl)-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 127040447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).