N-(1-adamantyl)-4-amino-1-methylpyrazole-5-carboxamide

C15H22N4O — CID 65355510

IUPACN-(1-adamantyl)-4-amino-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(N)c1C(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H22N4O/c1-19-13(12(16)8-17-19)14(20)18-15-5-9-2-10(6-15)4-11(3-9)7-15/h8-11H,2-7,16H2,1H3,(H,18,20)
InChIKeySCGXDHQTOZIZBW-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.70
Rot. Bonds2

About N-(1-adamantyl)-4-amino-1-methylpyrazole-5-carboxamide

N-(1-adamantyl)-4-amino-1-methylpyrazole-5-carboxamide (PubChem CID 65355510) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is N-(1-adamantyl)-4-amino-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-4-amino-1-methylpyrazole-5-carboxamide
PubChem CID65355510
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC NameN-(1-adamantyl)-4-amino-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(N)c1C(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H22N4O/c1-19-13(12(16)8-17-19)14(20)18-15-5-9-2-10(6-15)4-11(3-9)7-15/h8-11H,2-7,16H2,1H3,(H,18,20)
InChIKeySCGXDHQTOZIZBW-UHFFFAOYSA-N
XLogP1.70
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-adamantyl)-1-methyl-4-nitropyrazole-5-carboxamide
CID 3410075
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CID 114628278
4-amino-N-cyclohexyl-1-methylpyrazole-5-carboxamide
CID 65356046
N-(1-adamantyl)-1-methyl-5-morpholin-4-ylpyrazole-4-carboxamide
CID 67020998
N-(1-adamantyl)-4-amino-1-methylpyrrole-2-carboxamide
CID 43642586
N-(1-adamantyl)-4-amino-1-ethylpyrazole-3-carboxamide
CID 65359224
1-N,3-N-bis(1-adamantyl)-5-aminobenzene-1,3-dicarboxamide
CID 57309710
N-(1-adamantyl)-3-chloro-1-methylindole-2-carboxamide
CID 154834350
N-(1-adamantyl)-5-aminopyridine-2-carboxamide
CID 81309951
4-amino-N-(2,2-difluoropropyl)-1-methylpyrazole-5-carboxamide
CID 70115769
4-amino-N-(1,5-dimethylpyrazol-4-yl)-1-methylpyrazole-5-carboxamide
CID 7017546
4-amino-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-1-methylpyrazole-5-carboxamide
CID 106179894

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-4-amino-1-methylpyrazole-5-carboxamide?
The IUPAC name of N-(1-adamantyl)-4-amino-1-methylpyrazole-5-carboxamide (CID 65355510) is N-(1-adamantyl)-4-amino-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-4-amino-1-methylpyrazole-5-carboxamide?
The canonical SMILES for N-(1-adamantyl)-4-amino-1-methylpyrazole-5-carboxamide is Cn1ncc(N)c1C(=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantyl)-4-amino-1-methylpyrazole-5-carboxamide?
The InChIKey is SCGXDHQTOZIZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-19-13(12(16)8-17-19)14(20)18-15-5-9-2-10(6-15)4-11(3-9)7-15/h8-11H,2-7,16H2,1H3,(H,18,20).
What are the key properties of N-(1-adamantyl)-4-amino-1-methylpyrazole-5-carboxamide?
N-(1-adamantyl)-4-amino-1-methylpyrazole-5-carboxamide has a molecular weight of 274.37 g/mol, XLogP of 1.70, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-4-amino-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 65355510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).