N-(4-acetylphenyl)-3-(adamantane-1-carbonyl)-4,5-dihydro-1H-pyrazole-5-carboxamide

C23H27N3O3 — CID 4901967

IUPACN-(4-acetylphenyl)-3-(adamantane-1-carbonyl)-4,5-dihydro-1H-pyrazole-5-carboxamide
SMILESCC(=O)c1ccc(NC(=O)C2CC(C(=O)C34CC5CC(CC(C5)C3)C4)=NN2)cc1
InChIInChI=1S/C23H27N3O3/c1-13(27)17-2-4-18(5-3-17)24-22(29)20-9-19(25-26-20)21(28)23-10-14-6-15(11-23)8-16(7-14)12-23/h2-5,14-16,20,26H,6-12H2,1H3,(H,24,29)
InChIKeyZTTWMDSVCGHSAE-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.33
Rot. Bonds5

About N-(4-acetylphenyl)-3-(adamantane-1-carbonyl)-4,5-dihydro-1H-pyrazole-5-carboxamide

N-(4-acetylphenyl)-3-(adamantane-1-carbonyl)-4,5-dihydro-1H-pyrazole-5-carboxamide (PubChem CID 4901967) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-(4-acetylphenyl)-3-(adamantane-1-carbonyl)-4,5-dihydro-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-3-(adamantane-1-carbonyl)-4,5-dihydro-1H-pyrazole-5-carboxamide
PubChem CID4901967
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC NameN-(4-acetylphenyl)-3-(adamantane-1-carbonyl)-4,5-dihydro-1H-pyrazole-5-carboxamide
SMILESCC(=O)c1ccc(NC(=O)C2CC(C(=O)C34CC5CC(CC(C5)C3)C4)=NN2)cc1
InChIInChI=1S/C23H27N3O3/c1-13(27)17-2-4-18(5-3-17)24-22(29)20-9-19(25-26-20)21(28)23-10-14-6-15(11-23)8-16(7-14)12-23/h2-5,14-16,20,26H,6-12H2,1H3,(H,24,29)
InChIKeyZTTWMDSVCGHSAE-UHFFFAOYSA-N
XLogP3.33
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(4-acetylphenyl)-3-(adamantane-1-carbonyl)-4,5-dihydro-1H-pyrazole-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

3-(adamantane-1-carbonyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-dihydro-1H-pyrazole-5-carboxamide
CID 4897981
N-(4-acetylphenyl)adamantane-1-carboxamide
CID 2836424
3-(4-methoxybenzoyl)-N-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole-5-carboxamide
CID 4893236
[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] adamantane-1-carboxylate
CID 7514363
(1R)-N-(4-acetylphenyl)-2,2-dichlorocyclopropane-1-carboxamide
CID 8712837
N-(4-methoxyphenyl)-3-(pyrazine-2-carbonyl)-4,5-dihydro-1H-pyrazole-5-carboxamide
CID 4970649
1-N-(4-acetamidophenyl)-2-N-(4-acetylphenyl)cyclopropane-1,2-dicarboxamide
CID 109143793
(2S)-N-(4-acetylphenyl)-2-(1-adamantylmethylamino)propanamide
CID 8512129
1-(4-acetylphenyl)-3-[1-(1-adamantyl)pyrazol-3-yl]thiourea
CID 17263151
N-(4-acetylphenyl)-N'-[1-(1-adamantyl)ethyl]oxamide
CID 108509023
N-(4-acetylphenyl)cyclobutanecarboxamide
CID 877885
4-acetamido-N-(1-adamantyl)benzamide
CID 7732501

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-3-(adamantane-1-carbonyl)-4,5-dihydro-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-3-(adamantane-1-carbonyl)-4,5-dihydro-1H-pyrazole-5-carboxamide (CID 4901967) is N-(4-acetylphenyl)-3-(adamantane-1-carbonyl)-4,5-dihydro-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-3-(adamantane-1-carbonyl)-4,5-dihydro-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-3-(adamantane-1-carbonyl)-4,5-dihydro-1H-pyrazole-5-carboxamide is CC(=O)c1ccc(NC(=O)C2CC(C(=O)C34CC5CC(CC(C5)C3)C4)=NN2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-3-(adamantane-1-carbonyl)-4,5-dihydro-1H-pyrazole-5-carboxamide?
The InChIKey is ZTTWMDSVCGHSAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-13(27)17-2-4-18(5-3-17)24-22(29)20-9-19(25-26-20)21(28)23-10-14-6-15(11-23)8-16(7-14)12-23/h2-5,14-16,20,26H,6-12H2,1H3,(H,24,29).
What are the key properties of N-(4-acetylphenyl)-3-(adamantane-1-carbonyl)-4,5-dihydro-1H-pyrazole-5-carboxamide?
N-(4-acetylphenyl)-3-(adamantane-1-carbonyl)-4,5-dihydro-1H-pyrazole-5-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-3-(adamantane-1-carbonyl)-4,5-dihydro-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 4901967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).