N-[2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl]-1-methyl-4-phenylpyrazole-3-carboxamide

C30H32N4O4 — CID 67546780

IUPACN-[2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl]-1-methyl-4-phenylpyrazole-3-carboxamide
SMILESCOc1ccc(C(=O)Nc2ccc(C(C)(C)CNC(=O)c3nn(C)cc3-c3ccccc3)cc2)cc1OC
InChIInChI=1S/C30H32N4O4/c1-30(2,19-31-29(36)27-24(18-34(3)33-27)20-9-7-6-8-10-20)22-12-14-23(15-13-22)32-28(35)21-11-16-25(37-4)26(17-21)38-5/h6-18H,19H2,1-5H3,(H,31,36)(H,32,35)
InChIKeyTYVFJODEKBUGJW-UHFFFAOYSA-N
MW512.61 g/mol
LogP5.06
Rot. Bonds9

About N-[2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl]-1-methyl-4-phenylpyrazole-3-carboxamide

N-[2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl]-1-methyl-4-phenylpyrazole-3-carboxamide (PubChem CID 67546780) has the molecular formula C30H32N4O4 and a molecular weight of 512.61 g/mol. Its IUPAC name is N-[2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl]-1-methyl-4-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl]-1-methyl-4-phenylpyrazole-3-carboxamide
PubChem CID67546780
Molecular FormulaC30H32N4O4
Molecular Weight512.61 g/mol
Exact Mass512.24
IUPAC NameN-[2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl]-1-methyl-4-phenylpyrazole-3-carboxamide
SMILESCOc1ccc(C(=O)Nc2ccc(C(C)(C)CNC(=O)c3nn(C)cc3-c3ccccc3)cc2)cc1OC
InChIInChI=1S/C30H32N4O4/c1-30(2,19-31-29(36)27-24(18-34(3)33-27)20-9-7-6-8-10-20)22-12-14-23(15-13-22)32-28(35)21-11-16-25(37-4)26(17-21)38-5/h6-18H,19H2,1-5H3,(H,31,36)(H,32,35)
InChIKeyTYVFJODEKBUGJW-UHFFFAOYSA-N
XLogP5.06
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.61
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl]-1-methyl-4-phenylpyrazole-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

3,4-dimethoxy-N-[4-[2-methyl-1-(2-phenoxypropanoylamino)propan-2-yl]phenyl]benzamide
CID 67545094
N-[2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl]-1H-indole-2-carboxamide
CID 90873510
N-[2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 91425689
3,4-dimethoxy-N-[4-(1-methoxy-2-methylpropan-2-yl)phenyl]benzamide
CID 67546361
N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-3,4-dimethoxybenzamide
CID 15994045
4-ethoxy-3-methoxy-N-(2-methyl-2-phenylpropyl)benzamide
CID 39700417
N-[2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl]pyridine-3-carboxamide;thiophene-2-carboxylic acid
CID 69045462
N-[4-(tert-butylcarbamoyl)phenyl]-4-(3,4-dimethoxyphenyl)-1-phenylpyrazole-3-carboxamide
CID 38257122
[2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl] pyrimidine-2-carboxylate
CID 175265795
N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-1-methyltriazole-4-carboxamide
CID 110438508
2-[[4-[(4-methoxy-3-phenylbenzoyl)amino]benzoyl]amino]acetic acid
CID 75429308
4-ethoxy-3-methoxy-N-(4-phenylphenyl)benzamide
CID 8880847

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl]-1-methyl-4-phenylpyrazole-3-carboxamide?
The IUPAC name of N-[2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl]-1-methyl-4-phenylpyrazole-3-carboxamide (CID 67546780) is N-[2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl]-1-methyl-4-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N-[2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl]-1-methyl-4-phenylpyrazole-3-carboxamide?
The canonical SMILES for N-[2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl]-1-methyl-4-phenylpyrazole-3-carboxamide is COc1ccc(C(=O)Nc2ccc(C(C)(C)CNC(=O)c3nn(C)cc3-c3ccccc3)cc2)cc1OC.
What is the InChIKey of N-[2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl]-1-methyl-4-phenylpyrazole-3-carboxamide?
The InChIKey is TYVFJODEKBUGJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N4O4/c1-30(2,19-31-29(36)27-24(18-34(3)33-27)20-9-7-6-8-10-20)22-12-14-23(15-13-22)32-28(35)21-11-16-25(37-4)26(17-21)38-5/h6-18H,19H2,1-5H3,(H,31,36)(H,32,35).
What are the key properties of N-[2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl]-1-methyl-4-phenylpyrazole-3-carboxamide?
N-[2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl]-1-methyl-4-phenylpyrazole-3-carboxamide has a molecular weight of 512.61 g/mol, XLogP of 5.06, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl]-1-methyl-4-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 67546780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).