N-[3-(2-adamantyl)propyl]-5-(4-chlorophenyl)-1-(3,5-dimethylphenyl)-4-methylpyrazole-3-carboxamide

C32H38ClN3O — CID 163427608

IUPACN-[3-(2-adamantyl)propyl]-5-(4-chlorophenyl)-1-(3,5-dimethylphenyl)-4-methylpyrazole-3-carboxamide
SMILESCc1cc(C)cc(-n2nc(C(=O)NCCCC3C4CC5CC(C4)CC3C5)c(C)c2-c2ccc(Cl)cc2)c1
InChIInChI=1S/C32H38ClN3O/c1-19-11-20(2)13-28(12-19)36-31(24-6-8-27(33)9-7-24)21(3)30(35-36)32(37)34-10-4-5-29-25-15-22-14-23(17-25)18-26(29)16-22/h6-9,11-13,22-23,25-26,29H,4-5,10,14-18H2,1-3H3,(H,34,37)
InChIKeyANWJNYAFWXKDEN-UHFFFAOYSA-N
MW516.13 g/mol
LogP7.70
Rot. Bonds7

About N-[3-(2-adamantyl)propyl]-5-(4-chlorophenyl)-1-(3,5-dimethylphenyl)-4-methylpyrazole-3-carboxamide

N-[3-(2-adamantyl)propyl]-5-(4-chlorophenyl)-1-(3,5-dimethylphenyl)-4-methylpyrazole-3-carboxamide (PubChem CID 163427608) has the molecular formula C32H38ClN3O and a molecular weight of 516.13 g/mol. Its IUPAC name is N-[3-(2-adamantyl)propyl]-5-(4-chlorophenyl)-1-(3,5-dimethylphenyl)-4-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(2-adamantyl)propyl]-5-(4-chlorophenyl)-1-(3,5-dimethylphenyl)-4-methylpyrazole-3-carboxamide
PubChem CID163427608
Molecular FormulaC32H38ClN3O
Molecular Weight516.13 g/mol
Exact Mass515.27
IUPAC NameN-[3-(2-adamantyl)propyl]-5-(4-chlorophenyl)-1-(3,5-dimethylphenyl)-4-methylpyrazole-3-carboxamide
SMILESCc1cc(C)cc(-n2nc(C(=O)NCCCC3C4CC5CC(C4)CC3C5)c(C)c2-c2ccc(Cl)cc2)c1
InChIInChI=1S/C32H38ClN3O/c1-19-11-20(2)13-28(12-19)36-31(24-6-8-27(33)9-7-24)21(3)30(35-36)32(37)34-10-4-5-29-25-15-22-14-23(17-25)18-26(29)16-22/h6-9,11-13,22-23,25-26,29H,4-5,10,14-18H2,1-3H3,(H,34,37)
InChIKeyANWJNYAFWXKDEN-UHFFFAOYSA-N
XLogP7.70
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.13
LogP ≤ 57.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[3-(2-adamantyl)propyl]-5-(4-chlorophenyl)-1-(3,5-dimethylphenyl)-4-methylpyrazole-3-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-[3-(2-adamantyl)propyl]-5-(4-chlorophenyl)-1-(3,5-dichlorophenyl)-4-methylpyrazole-3-carboxamide
CID 163924024
N-[3-(2-adamantyl)propyl]-5-(4-chlorophenyl)-1-(2,4-dimethylphenyl)-4-methylpyrazole-3-carboxamide
CID 163482234
N-[3-(2-adamantyl)propyl]-5-(4-chlorophenyl)-1-(2,4-difluorophenyl)-4-methylpyrazole-3-carboxamide
CID 163685336
N-[3-(2-adamantyl)propyl]-5-(4-chlorophenyl)-1-(2,4-dimethoxyphenyl)-4-methylpyrazole-3-carboxamide
CID 163852334
N-[2-(2-adamantylamino)ethyl]-1,5-bis(4-chlorophenyl)-4-methylpyrazole-3-carboxamide
CID 166948771
N-[2-(2-adamantylmethylamino)ethyl]-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide
CID 162699766
N-[3-(2-adamantyl)propyl]-1-(2,4-dichlorophenyl)-4-methyl-5-propan-2-ylpyrazole-3-carboxamide
CID 163820829
N-[2-(2-adamantylamino)ethyl]-5-(4-chlorophenyl)-1-(4-cyanophenyl)-4-methylpyrazole-3-carboxamide
CID 166948854
N-[2-[2-adamantyl(methyl)amino]ethyl]-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide
CID 162699793
N-[3-(2-adamantyl)propyl]-1-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-4-methylpyrrole-3-carboxamide
CID 163534916
1-N,3-N-bis[4-[[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]amino]butyl]adamantane-1,3-dicarboxamide
CID 118710164
3-(2-adamantyl)-N-[[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]methyl]propan-1-amine
CID 163624803

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-adamantyl)propyl]-5-(4-chlorophenyl)-1-(3,5-dimethylphenyl)-4-methylpyrazole-3-carboxamide?
The IUPAC name of N-[3-(2-adamantyl)propyl]-5-(4-chlorophenyl)-1-(3,5-dimethylphenyl)-4-methylpyrazole-3-carboxamide (CID 163427608) is N-[3-(2-adamantyl)propyl]-5-(4-chlorophenyl)-1-(3,5-dimethylphenyl)-4-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[3-(2-adamantyl)propyl]-5-(4-chlorophenyl)-1-(3,5-dimethylphenyl)-4-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[3-(2-adamantyl)propyl]-5-(4-chlorophenyl)-1-(3,5-dimethylphenyl)-4-methylpyrazole-3-carboxamide is Cc1cc(C)cc(-n2nc(C(=O)NCCCC3C4CC5CC(C4)CC3C5)c(C)c2-c2ccc(Cl)cc2)c1.
What is the InChIKey of N-[3-(2-adamantyl)propyl]-5-(4-chlorophenyl)-1-(3,5-dimethylphenyl)-4-methylpyrazole-3-carboxamide?
The InChIKey is ANWJNYAFWXKDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38ClN3O/c1-19-11-20(2)13-28(12-19)36-31(24-6-8-27(33)9-7-24)21(3)30(35-36)32(37)34-10-4-5-29-25-15-22-14-23(17-25)18-26(29)16-22/h6-9,11-13,22-23,25-26,29H,4-5,10,14-18H2,1-3H3,(H,34,37).
What are the key properties of N-[3-(2-adamantyl)propyl]-5-(4-chlorophenyl)-1-(3,5-dimethylphenyl)-4-methylpyrazole-3-carboxamide?
N-[3-(2-adamantyl)propyl]-5-(4-chlorophenyl)-1-(3,5-dimethylphenyl)-4-methylpyrazole-3-carboxamide has a molecular weight of 516.13 g/mol, XLogP of 7.70, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-adamantyl)propyl]-5-(4-chlorophenyl)-1-(3,5-dimethylphenyl)-4-methylpyrazole-3-carboxamide is sourced from PubChem (CID 163427608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).