N,4-dibutyl-N-[2-[2-(2-methylphenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]-2-oxoethyl]benzamide

C33H37N3O3 — CID 5022659

IUPACN,4-dibutyl-N-[2-[2-(2-methylphenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]-2-oxoethyl]benzamide
SMILESCCCCc1ccc(C(=O)N(CCCC)CC(=O)c2c(-c3ccccc3)[nH]n(-c3ccccc3C)c2=O)cc1
InChIInChI=1S/C33H37N3O3/c1-4-6-14-25-18-20-27(21-19-25)32(38)35(22-7-5-2)23-29(37)30-31(26-15-9-8-10-16-26)34-36(33(30)39)28-17-12-11-13-24(28)3/h8-13,15-21,34H,4-7,14,22-23H2,1-3H3
InChIKeyUDPHOGKWOWTQGP-UHFFFAOYSA-N
MW523.68 g/mol
LogP6.61
Rot. Bonds12

About N,4-dibutyl-N-[2-[2-(2-methylphenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]-2-oxoethyl]benzamide

N,4-dibutyl-N-[2-[2-(2-methylphenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]-2-oxoethyl]benzamide (PubChem CID 5022659) has the molecular formula C33H37N3O3 and a molecular weight of 523.68 g/mol. Its IUPAC name is N,4-dibutyl-N-[2-[2-(2-methylphenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN,4-dibutyl-N-[2-[2-(2-methylphenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]-2-oxoethyl]benzamide
PubChem CID5022659
Molecular FormulaC33H37N3O3
Molecular Weight523.68 g/mol
Exact Mass523.28
IUPAC NameN,4-dibutyl-N-[2-[2-(2-methylphenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]-2-oxoethyl]benzamide
SMILESCCCCc1ccc(C(=O)N(CCCC)CC(=O)c2c(-c3ccccc3)[nH]n(-c3ccccc3C)c2=O)cc1
InChIInChI=1S/C33H37N3O3/c1-4-6-14-25-18-20-27(21-19-25)32(38)35(22-7-5-2)23-29(37)30-31(26-15-9-8-10-16-26)34-36(33(30)39)28-17-12-11-13-24(28)3/h8-13,15-21,34H,4-7,14,22-23H2,1-3H3
InChIKeyUDPHOGKWOWTQGP-UHFFFAOYSA-N
XLogP6.61
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.68
LogP ≤ 56.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N,4-dibutyl-N-[2-[2-(2-methylphenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]-2-oxoethyl]benzamide 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-butyl-4-tert-butyl-N-[2-[2-(2-methylphenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]-2-oxoethyl]benzamide
CID 3963067
4-tert-butyl-N-[2-[2-(2-ethylphenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]-2-oxoethyl]-N-propylbenzamide
CID 3984894
N-butyl-4-tert-butyl-N-[2-[2-(2-methylphenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]-2-oxoethyl]benzenesulfonamide
CID 3957049
N,4-dibutyl-N-[2-[2-(4-methylphenyl)-3-oxo-5-propan-2-yl-1H-pyrazol-4-yl]-2-oxoethyl]benzamide
CID 3946471
3,4-dichloro-N-[2-[2-(4-chlorophenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]-2-oxoethyl]-N-propylbenzamide
CID 5025227
4-butyl-N-(4-butylbenzoyl)-N-[1-(2-methylphenyl)-3-phenylpyrazol-5-yl]benzamide
CID 67173269
N-[2-[2-(4-methylphenyl)-3-oxo-5-propan-2-yl-1H-pyrazol-4-yl]-2-oxoethyl]-4-pentyl-N-propylbenzamide
CID 3931178
N-butyl-4-chloro-N-[2-[2-(3-chlorophenyl)-5-ethyl-3-oxo-1H-pyrazol-4-yl]-2-oxoethyl]benzamide
CID 3992944
4-butyl-N-ethyl-N-(3-hydroxypropyl)benzamide
CID 115772047
N,N-diethyl-4-(3-phenylpropyl)benzamide
CID 102226026
4-butyl-N,N-diethylbenzamide
CID 60675001
4-butyl-N'-(4-phenylbenzoyl)benzohydrazide
CID 4296967

Frequently Asked Questions

What is the IUPAC name of N,4-dibutyl-N-[2-[2-(2-methylphenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]-2-oxoethyl]benzamide?
The IUPAC name of N,4-dibutyl-N-[2-[2-(2-methylphenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]-2-oxoethyl]benzamide (CID 5022659) is N,4-dibutyl-N-[2-[2-(2-methylphenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]-2-oxoethyl]benzamide.
What is the SMILES notation for N,4-dibutyl-N-[2-[2-(2-methylphenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]-2-oxoethyl]benzamide?
The canonical SMILES for N,4-dibutyl-N-[2-[2-(2-methylphenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]-2-oxoethyl]benzamide is CCCCc1ccc(C(=O)N(CCCC)CC(=O)c2c(-c3ccccc3)[nH]n(-c3ccccc3C)c2=O)cc1.
What is the InChIKey of N,4-dibutyl-N-[2-[2-(2-methylphenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]-2-oxoethyl]benzamide?
The InChIKey is UDPHOGKWOWTQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37N3O3/c1-4-6-14-25-18-20-27(21-19-25)32(38)35(22-7-5-2)23-29(37)30-31(26-15-9-8-10-16-26)34-36(33(30)39)28-17-12-11-13-24(28)3/h8-13,15-21,34H,4-7,14,22-23H2,1-3H3.
What are the key properties of N,4-dibutyl-N-[2-[2-(2-methylphenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]-2-oxoethyl]benzamide?
N,4-dibutyl-N-[2-[2-(2-methylphenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]-2-oxoethyl]benzamide has a molecular weight of 523.68 g/mol, XLogP of 6.61, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dibutyl-N-[2-[2-(2-methylphenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]-2-oxoethyl]benzamide is sourced from PubChem (CID 5022659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).