N-(3-benzoylphenyl)-3-[4-(dimethylamino)phenyl]-1-phenylpyrazole-4-carboxamide

C31H26N4O2 — CID 143451913

IUPACN-(3-benzoylphenyl)-3-[4-(dimethylamino)phenyl]-1-phenylpyrazole-4-carboxamide
SMILESCN(C)c1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2cccc(C(=O)c3ccccc3)c2)cc1
InChIInChI=1S/C31H26N4O2/c1-34(2)26-18-16-22(17-19-26)29-28(21-35(33-29)27-14-7-4-8-15-27)31(37)32-25-13-9-12-24(20-25)30(36)23-10-5-3-6-11-23/h3-21H,1-2H3,(H,32,37)
InChIKeyYVYMVHSMSSHMJY-UHFFFAOYSA-N
MW486.58 g/mol
LogP6.09
Rot. Bonds7

About N-(3-benzoylphenyl)-3-[4-(dimethylamino)phenyl]-1-phenylpyrazole-4-carboxamide

N-(3-benzoylphenyl)-3-[4-(dimethylamino)phenyl]-1-phenylpyrazole-4-carboxamide (PubChem CID 143451913) has the molecular formula C31H26N4O2 and a molecular weight of 486.58 g/mol. Its IUPAC name is N-(3-benzoylphenyl)-3-[4-(dimethylamino)phenyl]-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-benzoylphenyl)-3-[4-(dimethylamino)phenyl]-1-phenylpyrazole-4-carboxamide
PubChem CID143451913
Molecular FormulaC31H26N4O2
Molecular Weight486.58 g/mol
Exact Mass486.21
IUPAC NameN-(3-benzoylphenyl)-3-[4-(dimethylamino)phenyl]-1-phenylpyrazole-4-carboxamide
SMILESCN(C)c1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2cccc(C(=O)c3ccccc3)c2)cc1
InChIInChI=1S/C31H26N4O2/c1-34(2)26-18-16-22(17-19-26)29-28(21-35(33-29)27-14-7-4-8-15-27)31(37)32-25-13-9-12-24(20-25)30(36)23-10-5-3-6-11-23/h3-21H,1-2H3,(H,32,37)
InChIKeyYVYMVHSMSSHMJY-UHFFFAOYSA-N
XLogP6.09
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.58
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(cyclopropylcarbamoyl)phenyl]-1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide
CID 46698646
3-[[3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoic acid
CID 1287980
3-(4-bromophenyl)-N,1-diphenylpyrazole-4-carboxamide
CID 1339749
N-(3-chlorophenyl)-1-phenyl-3-pyridin-4-ylpyrazole-4-carboxamide
CID 166184461
methyl 2-[[3-[[1-(4-methylphenyl)-3-phenylpyrazole-4-carbonyl]amino]benzoyl]amino]acetate
CID 55962642
N-(3-methylphenyl)-3-(4-nitrophenyl)-1-phenylpyrazole-4-carboxamide
CID 150668584
N-(4-acetamidophenyl)-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 9110013
3-[[3-(5-methylthiophen-2-yl)-1-phenylpyrazole-4-carbonyl]amino]benzoic acid
CID 142738645
N-[3-(dimethylcarbamoyl)phenyl]-1-(4-fluorophenyl)-3-(3-methylphenyl)pyrazole-4-carboxamide
CID 46518005
N-(3-chlorophenyl)-3-(4-nitrophenyl)-1-phenylpyrazole-4-carboxamide
CID 151307520
N-(4-acetylphenyl)-3-(4-chlorophenyl)-1-phenylpyrazole-4-carboxamide
CID 1068310
N-[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-1,3-diphenylpyrazole-4-carboxamide
CID 19281414

Frequently Asked Questions

What is the IUPAC name of N-(3-benzoylphenyl)-3-[4-(dimethylamino)phenyl]-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-(3-benzoylphenyl)-3-[4-(dimethylamino)phenyl]-1-phenylpyrazole-4-carboxamide (CID 143451913) is N-(3-benzoylphenyl)-3-[4-(dimethylamino)phenyl]-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-(3-benzoylphenyl)-3-[4-(dimethylamino)phenyl]-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-(3-benzoylphenyl)-3-[4-(dimethylamino)phenyl]-1-phenylpyrazole-4-carboxamide is CN(C)c1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2cccc(C(=O)c3ccccc3)c2)cc1.
What is the InChIKey of N-(3-benzoylphenyl)-3-[4-(dimethylamino)phenyl]-1-phenylpyrazole-4-carboxamide?
The InChIKey is YVYMVHSMSSHMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26N4O2/c1-34(2)26-18-16-22(17-19-26)29-28(21-35(33-29)27-14-7-4-8-15-27)31(37)32-25-13-9-12-24(20-25)30(36)23-10-5-3-6-11-23/h3-21H,1-2H3,(H,32,37).
What are the key properties of N-(3-benzoylphenyl)-3-[4-(dimethylamino)phenyl]-1-phenylpyrazole-4-carboxamide?
N-(3-benzoylphenyl)-3-[4-(dimethylamino)phenyl]-1-phenylpyrazole-4-carboxamide has a molecular weight of 486.58 g/mol, XLogP of 6.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzoylphenyl)-3-[4-(dimethylamino)phenyl]-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 143451913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).