N-[2-[2-(4-methylphenyl)-3-oxo-5-propan-2-yl-1H-pyrazol-4-yl]-2-oxoethyl]-4-pentyl-N-propylbenzamide

C30H39N3O3 — CID 3931178

IUPACN-[2-[2-(4-methylphenyl)-3-oxo-5-propan-2-yl-1H-pyrazol-4-yl]-2-oxoethyl]-4-pentyl-N-propylbenzamide
SMILESCCCCCc1ccc(C(=O)N(CCC)CC(=O)c2c(C(C)C)[nH]n(-c3ccc(C)cc3)c2=O)cc1
InChIInChI=1S/C30H39N3O3/c1-6-8-9-10-23-13-15-24(16-14-23)29(35)32(19-7-2)20-26(34)27-28(21(3)4)31-33(30(27)36)25-17-11-22(5)12-18-25/h11-18,21,31H,6-10,19-20H2,1-5H3
InChIKeyAQUFJZGYVRETAP-UHFFFAOYSA-N
MW489.66 g/mol
LogP6.07
Rot. Bonds12

About N-[2-[2-(4-methylphenyl)-3-oxo-5-propan-2-yl-1H-pyrazol-4-yl]-2-oxoethyl]-4-pentyl-N-propylbenzamide

N-[2-[2-(4-methylphenyl)-3-oxo-5-propan-2-yl-1H-pyrazol-4-yl]-2-oxoethyl]-4-pentyl-N-propylbenzamide (PubChem CID 3931178) has the molecular formula C30H39N3O3 and a molecular weight of 489.66 g/mol. Its IUPAC name is N-[2-[2-(4-methylphenyl)-3-oxo-5-propan-2-yl-1H-pyrazol-4-yl]-2-oxoethyl]-4-pentyl-N-propylbenzamide.

Molecular Properties

Compound NameN-[2-[2-(4-methylphenyl)-3-oxo-5-propan-2-yl-1H-pyrazol-4-yl]-2-oxoethyl]-4-pentyl-N-propylbenzamide
PubChem CID3931178
Molecular FormulaC30H39N3O3
Molecular Weight489.66 g/mol
Exact Mass489.30
IUPAC NameN-[2-[2-(4-methylphenyl)-3-oxo-5-propan-2-yl-1H-pyrazol-4-yl]-2-oxoethyl]-4-pentyl-N-propylbenzamide
SMILESCCCCCc1ccc(C(=O)N(CCC)CC(=O)c2c(C(C)C)[nH]n(-c3ccc(C)cc3)c2=O)cc1
InChIInChI=1S/C30H39N3O3/c1-6-8-9-10-23-13-15-24(16-14-23)29(35)32(19-7-2)20-26(34)27-28(21(3)4)31-33(30(27)36)25-17-11-22(5)12-18-25/h11-18,21,31H,6-10,19-20H2,1-5H3
InChIKeyAQUFJZGYVRETAP-UHFFFAOYSA-N
XLogP6.07
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.66
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-[2-(4-methylphenyl)-3-oxo-5-propan-2-yl-1H-pyrazol-4-yl]-2-oxoethyl]-4-pentyl-N-propylbenzamide 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,4-dibutyl-N-[2-[2-(4-methylphenyl)-3-oxo-5-propan-2-yl-1H-pyrazol-4-yl]-2-oxoethyl]benzamide
CID 3946471
N-butyl-N-[2-[2-(4-chlorophenyl)-3-oxo-5-propan-2-yl-1H-pyrazol-4-yl]-2-oxoethyl]-4-nitrobenzamide
CID 4039210
N,4-dibutyl-N-[2-[2-(2-methylphenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]-2-oxoethyl]benzamide
CID 5022659
N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-4-pentyl-N-propylbenzamide
CID 42718039
N-butyl-4-chloro-N-[2-[2-(3-chlorophenyl)-5-ethyl-3-oxo-1H-pyrazol-4-yl]-2-oxoethyl]benzamide
CID 3992944
ethane;4-methyl-N,N-dipropylbenzamide
CID 143600655
2-(4-methylphenyl)-1-(4-octylphenyl)ethanone
CID 101090157
methyl 4-[2-[(4-butylbenzoyl)-(3-methylbutyl)amino]acetyl]-1-ethyl-3,5-dimethylpyrrole-2-carboxylate
CID 46130479
benzene;formaldehyde;4-methyl-N,N-dipropylbenzamide
CID 144812222
N-butyl-4-tert-butyl-N-[2-[2-(2-methylphenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]-2-oxoethyl]benzamide
CID 3963067
4-butyl-N,N-diethylbenzamide
CID 60675001
ethyl 3-[butan-2-yl-(4-pentylbenzoyl)amino]propanoate
CID 42697624

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-methylphenyl)-3-oxo-5-propan-2-yl-1H-pyrazol-4-yl]-2-oxoethyl]-4-pentyl-N-propylbenzamide?
The IUPAC name of N-[2-[2-(4-methylphenyl)-3-oxo-5-propan-2-yl-1H-pyrazol-4-yl]-2-oxoethyl]-4-pentyl-N-propylbenzamide (CID 3931178) is N-[2-[2-(4-methylphenyl)-3-oxo-5-propan-2-yl-1H-pyrazol-4-yl]-2-oxoethyl]-4-pentyl-N-propylbenzamide.
What is the SMILES notation for N-[2-[2-(4-methylphenyl)-3-oxo-5-propan-2-yl-1H-pyrazol-4-yl]-2-oxoethyl]-4-pentyl-N-propylbenzamide?
The canonical SMILES for N-[2-[2-(4-methylphenyl)-3-oxo-5-propan-2-yl-1H-pyrazol-4-yl]-2-oxoethyl]-4-pentyl-N-propylbenzamide is CCCCCc1ccc(C(=O)N(CCC)CC(=O)c2c(C(C)C)[nH]n(-c3ccc(C)cc3)c2=O)cc1.
What is the InChIKey of N-[2-[2-(4-methylphenyl)-3-oxo-5-propan-2-yl-1H-pyrazol-4-yl]-2-oxoethyl]-4-pentyl-N-propylbenzamide?
The InChIKey is AQUFJZGYVRETAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39N3O3/c1-6-8-9-10-23-13-15-24(16-14-23)29(35)32(19-7-2)20-26(34)27-28(21(3)4)31-33(30(27)36)25-17-11-22(5)12-18-25/h11-18,21,31H,6-10,19-20H2,1-5H3.
What are the key properties of N-[2-[2-(4-methylphenyl)-3-oxo-5-propan-2-yl-1H-pyrazol-4-yl]-2-oxoethyl]-4-pentyl-N-propylbenzamide?
N-[2-[2-(4-methylphenyl)-3-oxo-5-propan-2-yl-1H-pyrazol-4-yl]-2-oxoethyl]-4-pentyl-N-propylbenzamide has a molecular weight of 489.66 g/mol, XLogP of 6.07, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-methylphenyl)-3-oxo-5-propan-2-yl-1H-pyrazol-4-yl]-2-oxoethyl]-4-pentyl-N-propylbenzamide is sourced from PubChem (CID 3931178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).