N-(1-adamantyl)-2-methyl-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide

C23H32N4O2 — CID 71683078

IUPACN-(1-adamantyl)-2-methyl-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)n2nc(C)cc12
InChIInChI=1S/C23H32N4O2/c1-3-4-5-6-26-14-19(22(29)27-20(26)7-15(2)25-27)21(28)24-23-11-16-8-17(12-23)10-18(9-16)13-23/h7,14,16-18H,3-6,8-13H2,1-2H3,(H,24,28)
InChIKeyVYMLJPCBWASBSV-UHFFFAOYSA-N
MW396.54 g/mol
LogP3.69
Rot. Bonds6

About N-(1-adamantyl)-2-methyl-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide

N-(1-adamantyl)-2-methyl-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 71683078) has the molecular formula C23H32N4O2 and a molecular weight of 396.54 g/mol. Its IUPAC name is N-(1-adamantyl)-2-methyl-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2-methyl-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID71683078
Molecular FormulaC23H32N4O2
Molecular Weight396.54 g/mol
Exact Mass396.25
IUPAC NameN-(1-adamantyl)-2-methyl-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)n2nc(C)cc12
InChIInChI=1S/C23H32N4O2/c1-3-4-5-6-26-14-19(22(29)27-20(26)7-15(2)25-27)21(28)24-23-11-16-8-17(12-23)10-18(9-16)13-23/h7,14,16-18H,3-6,8-13H2,1-2H3,(H,24,28)
InChIKeyVYMLJPCBWASBSV-UHFFFAOYSA-N
XLogP3.69
TPSA68.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(1-adamantyl)-2-ethyl-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 71680717
N-(1-adamantyl)-2-tert-butyl-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 71680720
N-(1-adamantyl)-7-oxo-4-pentyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 71680878
N-(1-adamantyl)-2-(4-methylphenyl)-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 71681039
N-(1-adamantyl)-3-bromo-2-methyl-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 71681504
N-cyclohexyl-2-methyl-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 71682928
2-methyl-N-(4-methylcyclohexyl)-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 71683080
2-[5-(1-adamantylmethylamino)-3-methylpyrazol-1-yl]-4-ethyl-1H-pyrimidin-6-one
CID 169018053
n-[1-(4,5-Dimethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1h-pyrazol-5-yl]adamantane-1-carboxamide
CID 135551483
N-[1-(Adamantan-1-YL)ethyl]-4-{2-methyl-5-oxo-4H,5H,6H,7H-pyrazolo[1,5-A]pyrimidin-4-YL}butanamide
CID 46282334
3-(1-adamantylcarbamoylamino)-N-(1,3-ditert-butylpyrazol-5-yl)propanamide
CID 56434401
N-[5-methyl-2-(1-methyl-4-oxo-3aH-pyrazolo[3,4-d]pyrimidin-6-yl)pyrazol-3-yl]adamantane-1-carboxamide
CID 75119354

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2-methyl-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(1-adamantyl)-2-methyl-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 71683078) is N-(1-adamantyl)-2-methyl-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-2-methyl-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(1-adamantyl)-2-methyl-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide is CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)n2nc(C)cc12.
What is the InChIKey of N-(1-adamantyl)-2-methyl-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is VYMLJPCBWASBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O2/c1-3-4-5-6-26-14-19(22(29)27-20(26)7-15(2)25-27)21(28)24-23-11-16-8-17(12-23)10-18(9-16)13-23/h7,14,16-18H,3-6,8-13H2,1-2H3,(H,24,28).
What are the key properties of N-(1-adamantyl)-2-methyl-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
N-(1-adamantyl)-2-methyl-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 396.54 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2-methyl-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 71683078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).