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

C21H25N5O2 — CID 127040450

IUPACN-(5-cyano-2-adamantyl)-7-(methoxymethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOCc1cc(C)nc2c(C(=O)NC3C4CC5CC3CC(C#N)(C5)C4)cnn12
InChIInChI=1S/C21H25N5O2/c1-12-3-16(10-28-2)26-19(24-12)17(9-23-26)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)
InChIKeyXVBYFWOEQNABLG-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.63
Rot. Bonds4

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

N-(5-cyano-2-adamantyl)-7-(methoxymethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 127040450) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-(5-cyano-2-adamantyl)-7-(methoxymethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-cyano-2-adamantyl)-7-(methoxymethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID127040450
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC NameN-(5-cyano-2-adamantyl)-7-(methoxymethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOCc1cc(C)nc2c(C(=O)NC3C4CC5CC3CC(C#N)(C5)C4)cnn12
InChIInChI=1S/C21H25N5O2/c1-12-3-16(10-28-2)26-19(24-12)17(9-23-26)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)
InChIKeyXVBYFWOEQNABLG-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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Related Compounds

N-(5-cyano-2-adamantyl)-5-(methoxymethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 127038025
1-tert-butyl-N-(5-hydroxy-2-adamantyl)-5-(methoxymethyl)pyrazole-4-carboxamide
CID 77168395
N-(5-hydroxy-2-adamantyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 127037649
N-(2-methoxyethoxy)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 79676509
N-(1-adamantylmethyl)-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416339
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 98331279
N-(5-cyano-2-adamantyl)-2-(4-methoxyphenyl)sulfonyl-2-methylpropanamide
CID 66887384
N-[(1R,3S)-5-hydroxy-2-adamantyl]-5,7-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-8-ium-3-carboxamide
CID 117072439
N-[(1R,2R)-2-aminocyclohexyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 93451747
N-[(1S,3R)-5-acetamido-2-adamantyl]-5-(4-chloropyrazol-1-yl)-1-(2-methoxyethyl)pyrazole-4-carboxamide
CID 67020897
7-[(5-cyano-2-adamantyl)amino]-3H-pyrrolo[3,2-b]pyridine-6-carboxamide
CID 58146765
N-(5-hydroxy-2-adamantyl)-2-(methoxymethyl)-4-(1-methylpyrrole-2-carbonyl)benzamide
CID 56942337

Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-2-adamantyl)-7-(methoxymethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(5-cyano-2-adamantyl)-7-(methoxymethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 127040450) is N-(5-cyano-2-adamantyl)-7-(methoxymethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(5-cyano-2-adamantyl)-7-(methoxymethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(5-cyano-2-adamantyl)-7-(methoxymethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is COCc1cc(C)nc2c(C(=O)NC3C4CC5CC3CC(C#N)(C5)C4)cnn12.
What is the InChIKey of N-(5-cyano-2-adamantyl)-7-(methoxymethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is XVBYFWOEQNABLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-12-3-16(10-28-2)26-19(24-12)17(9-23-26)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)-7-(methoxymethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(5-cyano-2-adamantyl)-7-(methoxymethyl)-5-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)-7-(methoxymethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 127040450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).