4-[5-methyl-3-[1-(4-methylphenyl)-3-(phenylcarbamoyl)pyrazole-4-carbonyl]-1-phenylpyrazole-4-carbonyl]-1-(4-methylphenyl)-N-phenylpyrazole-3-carboxamide

C46H36N8O4 — CID 71552131

IUPAC4-[5-methyl-3-[1-(4-methylphenyl)-3-(phenylcarbamoyl)pyrazole-4-carbonyl]-1-phenylpyrazole-4-carbonyl]-1-(4-methylphenyl)-N-phenylpyrazole-3-carboxamide
SMILESCc1ccc(-n2cc(C(=O)c3nn(-c4ccccc4)c(C)c3C(=O)c3cn(-c4ccc(C)cc4)nc3C(=O)Nc3ccccc3)c(C(=O)Nc3ccccc3)n2)cc1
InChIInChI=1S/C46H36N8O4/c1-29-19-23-34(24-20-29)52-27-37(40(49-52)45(57)47-32-13-7-4-8-14-32)43(55)39-31(3)54(36-17-11-6-12-18-36)51-42(39)44(56)38-28-53(35-25-21-30(2)22-26-35)50-41(38)46(58)48-33-15-9-5-10-16-33/h4-28H,1-3H3,(H,47,57)(H,48,58)
InChIKeyZIZXTEOWEGLYGZ-UHFFFAOYSA-N
MW764.85 g/mol
LogP8.14
Rot. Bonds11

About 4-[5-methyl-3-[1-(4-methylphenyl)-3-(phenylcarbamoyl)pyrazole-4-carbonyl]-1-phenylpyrazole-4-carbonyl]-1-(4-methylphenyl)-N-phenylpyrazole-3-carboxamide

4-[5-methyl-3-[1-(4-methylphenyl)-3-(phenylcarbamoyl)pyrazole-4-carbonyl]-1-phenylpyrazole-4-carbonyl]-1-(4-methylphenyl)-N-phenylpyrazole-3-carboxamide (PubChem CID 71552131) has the molecular formula C46H36N8O4 and a molecular weight of 764.85 g/mol. Its IUPAC name is 4-[5-methyl-3-[1-(4-methylphenyl)-3-(phenylcarbamoyl)pyrazole-4-carbonyl]-1-phenylpyrazole-4-carbonyl]-1-(4-methylphenyl)-N-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-[5-methyl-3-[1-(4-methylphenyl)-3-(phenylcarbamoyl)pyrazole-4-carbonyl]-1-phenylpyrazole-4-carbonyl]-1-(4-methylphenyl)-N-phenylpyrazole-3-carboxamide
PubChem CID71552131
Molecular FormulaC46H36N8O4
Molecular Weight764.85 g/mol
Exact Mass764.29
IUPAC Name4-[5-methyl-3-[1-(4-methylphenyl)-3-(phenylcarbamoyl)pyrazole-4-carbonyl]-1-phenylpyrazole-4-carbonyl]-1-(4-methylphenyl)-N-phenylpyrazole-3-carboxamide
SMILESCc1ccc(-n2cc(C(=O)c3nn(-c4ccccc4)c(C)c3C(=O)c3cn(-c4ccc(C)cc4)nc3C(=O)Nc3ccccc3)c(C(=O)Nc3ccccc3)n2)cc1
InChIInChI=1S/C46H36N8O4/c1-29-19-23-34(24-20-29)52-27-37(40(49-52)45(57)47-32-13-7-4-8-14-32)43(55)39-31(3)54(36-17-11-6-12-18-36)51-42(39)44(56)38-28-53(35-25-21-30(2)22-26-35)50-41(38)46(58)48-33-15-9-5-10-16-33/h4-28H,1-3H3,(H,47,57)(H,48,58)
InChIKeyZIZXTEOWEGLYGZ-UHFFFAOYSA-N
XLogP8.14
TPSA145.80 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500764.85
LogP ≤ 58.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

3-[3-(4-Cyano-1,5-diphenylpyrazole-3-carbonyl)-1-(4-methylphenyl)pyrazole-4-carbonyl]-1,5-diphenylpyrazole-4-carbonitrile
CID 50905594
1-[4-[4-Benzoyl-1-(4-methylphenyl)pyrazole-3-carbonyl]-1-phenylpyrazol-3-yl]ethanone
CID 45277743
1-[4-[4-(4-Benzoyl-1-phenylpyrazole-3-carbonyl)-1-phenylpyrazole-3-carbonyl]-1-phenylpyrazol-3-yl]ethanone
CID 45277905
1-[4-[4-[4-Benzoyl-1-(4-chlorophenyl)pyrazole-3-carbonyl]-1-phenylpyrazole-3-carbonyl]-1-phenylpyrazol-3-yl]ethanone
CID 45278058
(E)-1-[4-(4-benzoyl-1-phenylpyrazole-3-carbonyl)-1-phenylpyrazol-3-yl]-3-(dimethylamino)prop-2-en-1-one
CID 45277746
(E)-1-[4-[4-benzoyl-1-(4-methylphenyl)pyrazole-3-carbonyl]-1-phenylpyrazol-3-yl]-3-(dimethylamino)prop-2-en-1-one
CID 45277747
1-[4-[4-[4-Benzoyl-1-(4-methylphenyl)pyrazole-3-carbonyl]-1-phenylpyrazole-3-carbonyl]-1-phenylpyrazol-3-yl]ethanone
CID 45277906
1-(4-chlorophenyl)-4-(4-cyano-1,5-diphenylpyrazole-3-carbonyl)-N-phenylpyrazole-3-carboxamide
CID 50905391
4-(4-cyano-1,5-diphenylpyrazole-3-carbonyl)-1-(4-methylphenyl)-N-phenylpyrazole-3-carboxamide
CID 50905392
3-[3-Benzoyl-1-(4-methylphenyl)pyrazole-4-carbonyl]-1,5-diphenylpyrazole-4-carbonitrile
CID 50906025
1-[4-(2-methyl-4,5-diphenyl-1H-pyrrole-3-carbonyl)-1-(4-methylphenyl)pyrazol-3-yl]ethanone
CID 127038361
1-[4-(2-methyl-4,5-diphenyl-1H-pyrrole-3-carbonyl)-1-phenylpyrazol-3-yl]ethanone
CID 127039804

Frequently Asked Questions

What is the IUPAC name of 4-[5-methyl-3-[1-(4-methylphenyl)-3-(phenylcarbamoyl)pyrazole-4-carbonyl]-1-phenylpyrazole-4-carbonyl]-1-(4-methylphenyl)-N-phenylpyrazole-3-carboxamide?
The IUPAC name of 4-[5-methyl-3-[1-(4-methylphenyl)-3-(phenylcarbamoyl)pyrazole-4-carbonyl]-1-phenylpyrazole-4-carbonyl]-1-(4-methylphenyl)-N-phenylpyrazole-3-carboxamide (CID 71552131) is 4-[5-methyl-3-[1-(4-methylphenyl)-3-(phenylcarbamoyl)pyrazole-4-carbonyl]-1-phenylpyrazole-4-carbonyl]-1-(4-methylphenyl)-N-phenylpyrazole-3-carboxamide.
What is the SMILES notation for 4-[5-methyl-3-[1-(4-methylphenyl)-3-(phenylcarbamoyl)pyrazole-4-carbonyl]-1-phenylpyrazole-4-carbonyl]-1-(4-methylphenyl)-N-phenylpyrazole-3-carboxamide?
The canonical SMILES for 4-[5-methyl-3-[1-(4-methylphenyl)-3-(phenylcarbamoyl)pyrazole-4-carbonyl]-1-phenylpyrazole-4-carbonyl]-1-(4-methylphenyl)-N-phenylpyrazole-3-carboxamide is Cc1ccc(-n2cc(C(=O)c3nn(-c4ccccc4)c(C)c3C(=O)c3cn(-c4ccc(C)cc4)nc3C(=O)Nc3ccccc3)c(C(=O)Nc3ccccc3)n2)cc1.
What is the InChIKey of 4-[5-methyl-3-[1-(4-methylphenyl)-3-(phenylcarbamoyl)pyrazole-4-carbonyl]-1-phenylpyrazole-4-carbonyl]-1-(4-methylphenyl)-N-phenylpyrazole-3-carboxamide?
The InChIKey is ZIZXTEOWEGLYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H36N8O4/c1-29-19-23-34(24-20-29)52-27-37(40(49-52)45(57)47-32-13-7-4-8-14-32)43(55)39-31(3)54(36-17-11-6-12-18-36)51-42(39)44(56)38-28-53(35-25-21-30(2)22-26-35)50-41(38)46(58)48-33-15-9-5-10-16-33/h4-28H,1-3H3,(H,47,57)(H,48,58).
What are the key properties of 4-[5-methyl-3-[1-(4-methylphenyl)-3-(phenylcarbamoyl)pyrazole-4-carbonyl]-1-phenylpyrazole-4-carbonyl]-1-(4-methylphenyl)-N-phenylpyrazole-3-carboxamide?
4-[5-methyl-3-[1-(4-methylphenyl)-3-(phenylcarbamoyl)pyrazole-4-carbonyl]-1-phenylpyrazole-4-carbonyl]-1-(4-methylphenyl)-N-phenylpyrazole-3-carboxamide has a molecular weight of 764.85 g/mol, XLogP of 8.14, 11 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-methyl-3-[1-(4-methylphenyl)-3-(phenylcarbamoyl)pyrazole-4-carbonyl]-1-phenylpyrazole-4-carbonyl]-1-(4-methylphenyl)-N-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 71552131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).