N-(2-adamantyl)-2-pentyl-3-phenyl-3,4-dihydropyrazole-5-carboxamide

C25H35N3O — CID 25230443

IUPACN-(2-adamantyl)-2-pentyl-3-phenyl-3,4-dihydropyrazole-5-carboxamide
SMILESCCCCCN1N=C(C(=O)NC2C3CC4CC(C3)CC2C4)CC1c1ccccc1
InChIInChI=1S/C25H35N3O/c1-2-3-7-10-28-23(19-8-5-4-6-9-19)16-22(27-28)25(29)26-24-20-12-17-11-18(14-20)15-21(24)13-17/h4-6,8-9,17-18,20-21,23-24H,2-3,7,10-16H2,1H3,(H,26,29)
InChIKeyAAWYILVBJLFYNG-UHFFFAOYSA-N
MW393.58 g/mol
LogP4.92
Rot. Bonds7

About N-(2-adamantyl)-2-pentyl-3-phenyl-3,4-dihydropyrazole-5-carboxamide

N-(2-adamantyl)-2-pentyl-3-phenyl-3,4-dihydropyrazole-5-carboxamide (PubChem CID 25230443) has the molecular formula C25H35N3O and a molecular weight of 393.58 g/mol. Its IUPAC name is N-(2-adamantyl)-2-pentyl-3-phenyl-3,4-dihydropyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-adamantyl)-2-pentyl-3-phenyl-3,4-dihydropyrazole-5-carboxamide
PubChem CID25230443
Molecular FormulaC25H35N3O
Molecular Weight393.58 g/mol
Exact Mass393.28
IUPAC NameN-(2-adamantyl)-2-pentyl-3-phenyl-3,4-dihydropyrazole-5-carboxamide
SMILESCCCCCN1N=C(C(=O)NC2C3CC4CC(C3)CC2C4)CC1c1ccccc1
InChIInChI=1S/C25H35N3O/c1-2-3-7-10-28-23(19-8-5-4-6-9-19)16-22(27-28)25(29)26-24-20-12-17-11-18(14-20)15-21(24)13-17/h4-6,8-9,17-18,20-21,23-24H,2-3,7,10-16H2,1H3,(H,26,29)
InChIKeyAAWYILVBJLFYNG-UHFFFAOYSA-N
XLogP4.92
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.58
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(2-adamantyl)-2-pentyl-3-phenyl-3,4-dihydropyrazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-Adamantan-2-yl-2-[1-(benzylcarbamoyl-methyl)-cyclopentyl]-acetamide
CID 45268079
N-(1-phenylethyl)adamantane-1-carboxamide
CID 585639
1-Adamantyl-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone
CID 2884860
N-[2-(4-fluorophenyl)propan-2-yl]-3-phenyl-2-(2-phenylethyl)-3,4-dihydropyrazole-5-carboxamide
CID 25230445
2-(cyclohexylmethyl)-N-[2-(4-fluorophenyl)propan-2-yl]-3-phenyl-3,4-dihydropyrazole-5-carboxamide
CID 25230446
N-[2-(4-fluorophenyl)propan-2-yl]-2-(2-methylpropyl)-3-phenyl-3,4-dihydropyrazole-5-carboxamide
CID 25230447
N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-2-pentyl-3-phenyl-3,4-dihydropyrazole-5-carboxamide
CID 25230524
3-(2-fluorophenyl)-2-pentyl-N-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydropyrazole-5-carboxamide
CID 25230599
N-cyclooctyl-3-(2-fluorophenyl)-2-pentyl-3,4-dihydropyrazole-5-carboxamide
CID 25230602
3-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]-2-pentyl-3,4-dihydropyrazole-5-carboxamide
CID 25230667
3-(2-fluorophenyl)-2-pentyl-N-(2-phenylpropyl)-3,4-dihydropyrazole-5-carboxamide
CID 25230668
3-(2-fluorophenyl)-N-pentan-3-yl-2-pentyl-3,4-dihydropyrazole-5-carboxamide
CID 57626214

Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-2-pentyl-3-phenyl-3,4-dihydropyrazole-5-carboxamide?
The IUPAC name of N-(2-adamantyl)-2-pentyl-3-phenyl-3,4-dihydropyrazole-5-carboxamide (CID 25230443) is N-(2-adamantyl)-2-pentyl-3-phenyl-3,4-dihydropyrazole-5-carboxamide.
What is the SMILES notation for N-(2-adamantyl)-2-pentyl-3-phenyl-3,4-dihydropyrazole-5-carboxamide?
The canonical SMILES for N-(2-adamantyl)-2-pentyl-3-phenyl-3,4-dihydropyrazole-5-carboxamide is CCCCCN1N=C(C(=O)NC2C3CC4CC(C3)CC2C4)CC1c1ccccc1.
What is the InChIKey of N-(2-adamantyl)-2-pentyl-3-phenyl-3,4-dihydropyrazole-5-carboxamide?
The InChIKey is AAWYILVBJLFYNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O/c1-2-3-7-10-28-23(19-8-5-4-6-9-19)16-22(27-28)25(29)26-24-20-12-17-11-18(14-20)15-21(24)13-17/h4-6,8-9,17-18,20-21,23-24H,2-3,7,10-16H2,1H3,(H,26,29).
What are the key properties of N-(2-adamantyl)-2-pentyl-3-phenyl-3,4-dihydropyrazole-5-carboxamide?
N-(2-adamantyl)-2-pentyl-3-phenyl-3,4-dihydropyrazole-5-carboxamide has a molecular weight of 393.58 g/mol, XLogP of 4.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-2-pentyl-3-phenyl-3,4-dihydropyrazole-5-carboxamide is sourced from PubChem (CID 25230443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).