N-[1-(1-adamantyl)ethyl]-1H-indazole-3-carboxamide

C20H25N3O — CID 43926474

IUPACN-[1-(1-adamantyl)ethyl]-1H-indazole-3-carboxamide
SMILESCC(NC(=O)c1n[nH]c2ccccc12)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H25N3O/c1-12(20-9-13-6-14(10-20)8-15(7-13)11-20)21-19(24)18-16-4-2-3-5-17(16)22-23-18/h2-5,12-15H,6-11H2,1H3,(H,21,24)(H,22,23)
InChIKeyLPXHRBIVKQAICN-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.90
Rot. Bonds3

About N-[1-(1-adamantyl)ethyl]-1H-indazole-3-carboxamide

N-[1-(1-adamantyl)ethyl]-1H-indazole-3-carboxamide (PubChem CID 43926474) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is N-[1-(1-adamantyl)ethyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(1-adamantyl)ethyl]-1H-indazole-3-carboxamide
PubChem CID43926474
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC NameN-[1-(1-adamantyl)ethyl]-1H-indazole-3-carboxamide
SMILESCC(NC(=O)c1n[nH]c2ccccc12)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H25N3O/c1-12(20-9-13-6-14(10-20)8-15(7-13)11-20)21-19(24)18-16-4-2-3-5-17(16)22-23-18/h2-5,12-15H,6-11H2,1H3,(H,21,24)(H,22,23)
InChIKeyLPXHRBIVKQAICN-UHFFFAOYSA-N
XLogP3.90
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-ethylpentan-2-yl)-1H-indazole-3-carboxamide
CID 63851037
N-(1-ethoxyethyl)-1H-indazole-3-carboxamide
CID 57149113
N-(1-methoxypropan-2-yl)-1H-indazole-3-carboxamide
CID 18161172
N-(2-methylpropyl)-1H-indazole-3-carboxamide
CID 42477800
N-[1-(1-adamantyl)ethyl]-3-benzyl-4-oxophthalazine-1-carboxamide
CID 5030237
N-(3-hydroxy-2,2-dimethylcyclobutyl)-1H-indazole-3-carboxamide
CID 114631317
N-[(1R)-1-(1-adamantyl)ethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 7777626
N-(1-methylcyclohexyl)-1H-indazole-3-carboxamide
CID 61229539
N-[(2R)-1-hydroxybutan-2-yl]-1H-indazole-3-carboxamide
CID 103920152
N-[(1S)-1-(1-adamantyl)ethyl]-3-(1H-indol-3-yl)propanamide
CID 7689156
2-acetamido-N-[1-(1-adamantyl)ethyl]-3-(1H-indol-3-yl)propanamide
CID 55349859
N-[(1S)-1-(1-adamantyl)ethyl]-2-(methanesulfonamido)benzamide
CID 94792798

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-adamantyl)ethyl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[1-(1-adamantyl)ethyl]-1H-indazole-3-carboxamide (CID 43926474) is N-[1-(1-adamantyl)ethyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[1-(1-adamantyl)ethyl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[1-(1-adamantyl)ethyl]-1H-indazole-3-carboxamide is CC(NC(=O)c1n[nH]c2ccccc12)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[1-(1-adamantyl)ethyl]-1H-indazole-3-carboxamide?
The InChIKey is LPXHRBIVKQAICN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-12(20-9-13-6-14(10-20)8-15(7-13)11-20)21-19(24)18-16-4-2-3-5-17(16)22-23-18/h2-5,12-15H,6-11H2,1H3,(H,21,24)(H,22,23).
What are the key properties of N-[1-(1-adamantyl)ethyl]-1H-indazole-3-carboxamide?
N-[1-(1-adamantyl)ethyl]-1H-indazole-3-carboxamide has a molecular weight of 323.44 g/mol, XLogP of 3.90, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-adamantyl)ethyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 43926474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).