2-(1-adamantyl)-N-[2-oxo-2-[2-(3-phenyl-1H-pyrazole-5-carbonyl)hydrazinyl]ethyl]acetamide

C24H29N5O3 — CID 27689352

IUPAC2-(1-adamantyl)-N-[2-oxo-2-[2-(3-phenyl-1H-pyrazole-5-carbonyl)hydrazinyl]ethyl]acetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)NCC(=O)NNC(=O)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C24H29N5O3/c30-21(13-24-10-15-6-16(11-24)8-17(7-15)12-24)25-14-22(31)28-29-23(32)20-9-19(26-27-20)18-4-2-1-3-5-18/h1-5,9,15-17H,6-8,10-14H2,(H,25,30)(H,26,27)(H,28,31)(H,29,32)
InChIKeyNWMJYVXAQPRXNU-UHFFFAOYSA-N
MW435.53 g/mol
LogP2.56
Rot. Bonds6

About 2-(1-adamantyl)-N-[2-oxo-2-[2-(3-phenyl-1H-pyrazole-5-carbonyl)hydrazinyl]ethyl]acetamide

2-(1-adamantyl)-N-[2-oxo-2-[2-(3-phenyl-1H-pyrazole-5-carbonyl)hydrazinyl]ethyl]acetamide (PubChem CID 27689352) has the molecular formula C24H29N5O3 and a molecular weight of 435.53 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-[2-oxo-2-[2-(3-phenyl-1H-pyrazole-5-carbonyl)hydrazinyl]ethyl]acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-[2-oxo-2-[2-(3-phenyl-1H-pyrazole-5-carbonyl)hydrazinyl]ethyl]acetamide
PubChem CID27689352
Molecular FormulaC24H29N5O3
Molecular Weight435.53 g/mol
Exact Mass435.23
IUPAC Name2-(1-adamantyl)-N-[2-oxo-2-[2-(3-phenyl-1H-pyrazole-5-carbonyl)hydrazinyl]ethyl]acetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)NCC(=O)NNC(=O)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C24H29N5O3/c30-21(13-24-10-15-6-16(11-24)8-17(7-15)12-24)25-14-22(31)28-29-23(32)20-9-19(26-27-20)18-4-2-1-3-5-18/h1-5,9,15-17H,6-8,10-14H2,(H,25,30)(H,26,27)(H,28,31)(H,29,32)
InChIKeyNWMJYVXAQPRXNU-UHFFFAOYSA-N
XLogP2.56
TPSA115.98 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 52.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(1-adamantyl)-N-[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl]acetamide
CID 9401804
4-bromo-N-[2-oxo-2-[2-(3-phenyl-1H-pyrazole-5-carbonyl)hydrazinyl]ethyl]benzamide
CID 35945015
2-(1-adamantyl)-N-[2-[2-(1-methylpyrrole-2-carbonyl)hydrazinyl]-2-oxoethyl]acetamide
CID 17445132
3-phenyl-N'-propanoyl-1H-pyrazole-5-carbohydrazide
CID 2677236
2-(1-adamantyl)-N-[2-oxo-2-[2-(pyridine-3-carbonyl)hydrazinyl]ethyl]acetamide
CID 35151780
2-(1-adamantyl)-N-[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl]acetamide
CID 4820820
N'-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 24540990
N'-(3-methylsulfanylpropanoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 18164415
N'-[4-(5-chlorothiophen-2-yl)-4-oxobutanoyl]-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 27689384
N'-[2-[(1S,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]acetyl]-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 11917170
N'-[2-(2-fluorophenoxy)acetyl]-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 24502827
1-[2-[2-[2-(1-adamantyl)acetyl]hydrazinyl]-2-oxoethyl]-3-[(4-fluorophenyl)methyl]urea
CID 24664912

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-[2-oxo-2-[2-(3-phenyl-1H-pyrazole-5-carbonyl)hydrazinyl]ethyl]acetamide?
The IUPAC name of 2-(1-adamantyl)-N-[2-oxo-2-[2-(3-phenyl-1H-pyrazole-5-carbonyl)hydrazinyl]ethyl]acetamide (CID 27689352) is 2-(1-adamantyl)-N-[2-oxo-2-[2-(3-phenyl-1H-pyrazole-5-carbonyl)hydrazinyl]ethyl]acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-[2-oxo-2-[2-(3-phenyl-1H-pyrazole-5-carbonyl)hydrazinyl]ethyl]acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-[2-oxo-2-[2-(3-phenyl-1H-pyrazole-5-carbonyl)hydrazinyl]ethyl]acetamide is O=C(CC12CC3CC(CC(C3)C1)C2)NCC(=O)NNC(=O)c1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of 2-(1-adamantyl)-N-[2-oxo-2-[2-(3-phenyl-1H-pyrazole-5-carbonyl)hydrazinyl]ethyl]acetamide?
The InChIKey is NWMJYVXAQPRXNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O3/c30-21(13-24-10-15-6-16(11-24)8-17(7-15)12-24)25-14-22(31)28-29-23(32)20-9-19(26-27-20)18-4-2-1-3-5-18/h1-5,9,15-17H,6-8,10-14H2,(H,25,30)(H,26,27)(H,28,31)(H,29,32).
What are the key properties of 2-(1-adamantyl)-N-[2-oxo-2-[2-(3-phenyl-1H-pyrazole-5-carbonyl)hydrazinyl]ethyl]acetamide?
2-(1-adamantyl)-N-[2-oxo-2-[2-(3-phenyl-1H-pyrazole-5-carbonyl)hydrazinyl]ethyl]acetamide has a molecular weight of 435.53 g/mol, XLogP of 2.56, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-[2-oxo-2-[2-(3-phenyl-1H-pyrazole-5-carbonyl)hydrazinyl]ethyl]acetamide is sourced from PubChem (CID 27689352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).