N-(1-adamantyl)-1-methyl-5-morpholin-4-ylpyrazole-4-carboxamide

C19H28N4O2 — CID 67020998

IUPACN-(1-adamantyl)-1-methyl-5-morpholin-4-ylpyrazole-4-carboxamide
SMILESCn1ncc(C(=O)NC23CC4CC(CC(C4)C2)C3)c1N1CCOCC1
InChIInChI=1S/C19H28N4O2/c1-22-18(23-2-4-25-5-3-23)16(12-20-22)17(24)21-19-9-13-6-14(10-19)8-15(7-13)11-19/h12-15H,2-11H2,1H3,(H,21,24)
InChIKeyCMARWZSSKQCQFL-UHFFFAOYSA-N
MW344.46 g/mol
LogP1.96
Rot. Bonds3

About N-(1-adamantyl)-1-methyl-5-morpholin-4-ylpyrazole-4-carboxamide

N-(1-adamantyl)-1-methyl-5-morpholin-4-ylpyrazole-4-carboxamide (PubChem CID 67020998) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is N-(1-adamantyl)-1-methyl-5-morpholin-4-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-1-methyl-5-morpholin-4-ylpyrazole-4-carboxamide
PubChem CID67020998
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC NameN-(1-adamantyl)-1-methyl-5-morpholin-4-ylpyrazole-4-carboxamide
SMILESCn1ncc(C(=O)NC23CC4CC(CC(C4)C2)C3)c1N1CCOCC1
InChIInChI=1S/C19H28N4O2/c1-22-18(23-2-4-25-5-3-23)16(12-20-22)17(24)21-19-9-13-6-14(10-19)8-15(7-13)11-19/h12-15H,2-11H2,1H3,(H,21,24)
InChIKeyCMARWZSSKQCQFL-UHFFFAOYSA-N
XLogP1.96
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-adamantyl)-1-tert-butyl-5-(4-hydroxypiperidin-1-yl)pyrazole-4-carboxamide
CID 67021017
N-(1-adamantyl)-4-amino-1-methylpyrazole-5-carboxamide
CID 65355510
N-(1-adamantyl)-5-(2,6-dimethylmorpholin-4-yl)-1-phenylpyrazole-4-carboxamide
CID 68743552
N-(1-adamantyl)-1-methyl-4-nitropyrazole-5-carboxamide
CID 3410075
(5S)-N-(1-adamantyl)-5,7,7-trimethyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 149055829
4-(1-adamantylmethylcarbamoyl)-1-methylpyrazole-5-carboxylic acid
CID 19496253
N-(1-adamantyl)-4-morpholin-4-ylsulfonylbenzamide
CID 2882558
1-(1-adamantyl)-3-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]urea
CID 19449716
N-[1-(1-adamantyl)ethyl]-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 78844305
N-(1-adamantyl)-1-benzyl-5-ethylpyrazole-4-carboxamide
CID 78873962
1-[(E)-3-acetamido-3-methylbut-1-enyl]-N-[5-(hydroxymethyl)-2-adamantyl]-5-morpholin-4-ylpyrazole-4-carboxamide
CID 59495909
N-(1-adamantyl)-1-(2,4-difluorophenyl)-7-morpholin-4-yl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 135355066

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-1-methyl-5-morpholin-4-ylpyrazole-4-carboxamide?
The IUPAC name of N-(1-adamantyl)-1-methyl-5-morpholin-4-ylpyrazole-4-carboxamide (CID 67020998) is N-(1-adamantyl)-1-methyl-5-morpholin-4-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-1-methyl-5-morpholin-4-ylpyrazole-4-carboxamide?
The canonical SMILES for N-(1-adamantyl)-1-methyl-5-morpholin-4-ylpyrazole-4-carboxamide is Cn1ncc(C(=O)NC23CC4CC(CC(C4)C2)C3)c1N1CCOCC1.
What is the InChIKey of N-(1-adamantyl)-1-methyl-5-morpholin-4-ylpyrazole-4-carboxamide?
The InChIKey is CMARWZSSKQCQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-22-18(23-2-4-25-5-3-23)16(12-20-22)17(24)21-19-9-13-6-14(10-19)8-15(7-13)11-19/h12-15H,2-11H2,1H3,(H,21,24).
What are the key properties of N-(1-adamantyl)-1-methyl-5-morpholin-4-ylpyrazole-4-carboxamide?
N-(1-adamantyl)-1-methyl-5-morpholin-4-ylpyrazole-4-carboxamide has a molecular weight of 344.46 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-1-methyl-5-morpholin-4-ylpyrazole-4-carboxamide is sourced from PubChem (CID 67020998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).