4-[4-[5-methyl-3,4-bis[1-phenyl-3-(phenylcarbamoyl)pyrazole-4-carbonyl]pyrazol-1-yl]benzoyl]-N,1-diphenylpyrazole-3-carboxamide

C61H43N11O6 — CID 139236281

IUPAC4-[4-[5-methyl-3,4-bis[1-phenyl-3-(phenylcarbamoyl)pyrazole-4-carbonyl]pyrazol-1-yl]benzoyl]-N,1-diphenylpyrazole-3-carboxamide
SMILESCc1c(C(=O)c2cn(-c3ccccc3)nc2C(=O)Nc2ccccc2)c(C(=O)c2cn(-c3ccccc3)nc2C(=O)Nc2ccccc2)nn1-c1ccc(C(=O)c2cn(-c3ccccc3)nc2C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C61H43N11O6/c1-39-51(57(74)49-37-70(45-28-16-6-17-29-45)66-53(49)60(77)63-42-22-10-3-11-23-42)55(58(75)50-38-71(46-30-18-7-19-31-46)67-54(50)61(78)64-43-24-12-4-13-25-43)68-72(39)47-34-32-40(33-35-47)56(73)48-36-69(44-26-14-5-15-27-44)65-52(48)59(76)62-41-20-8-2-9-21-41/h2-38H,1H3,(H,62,76)(H,63,77)(H,64,78)
InChIKeyVNEPPCASXYCIHU-UHFFFAOYSA-N
MW1026.09 g/mol
LogP10.19
Rot. Bonds16

About 4-[4-[5-methyl-3,4-bis[1-phenyl-3-(phenylcarbamoyl)pyrazole-4-carbonyl]pyrazol-1-yl]benzoyl]-N,1-diphenylpyrazole-3-carboxamide

4-[4-[5-methyl-3,4-bis[1-phenyl-3-(phenylcarbamoyl)pyrazole-4-carbonyl]pyrazol-1-yl]benzoyl]-N,1-diphenylpyrazole-3-carboxamide (PubChem CID 139236281) has the molecular formula C61H43N11O6 and a molecular weight of 1026.09 g/mol. Its IUPAC name is 4-[4-[5-methyl-3,4-bis[1-phenyl-3-(phenylcarbamoyl)pyrazole-4-carbonyl]pyrazol-1-yl]benzoyl]-N,1-diphenylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-[4-[5-methyl-3,4-bis[1-phenyl-3-(phenylcarbamoyl)pyrazole-4-carbonyl]pyrazol-1-yl]benzoyl]-N,1-diphenylpyrazole-3-carboxamide
PubChem CID139236281
Molecular FormulaC61H43N11O6
Molecular Weight1026.09 g/mol
Exact Mass1025.34
IUPAC Name4-[4-[5-methyl-3,4-bis[1-phenyl-3-(phenylcarbamoyl)pyrazole-4-carbonyl]pyrazol-1-yl]benzoyl]-N,1-diphenylpyrazole-3-carboxamide
SMILESCc1c(C(=O)c2cn(-c3ccccc3)nc2C(=O)Nc2ccccc2)c(C(=O)c2cn(-c3ccccc3)nc2C(=O)Nc2ccccc2)nn1-c1ccc(C(=O)c2cn(-c3ccccc3)nc2C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C61H43N11O6/c1-39-51(57(74)49-37-70(45-28-16-6-17-29-45)66-53(49)60(77)63-42-22-10-3-11-23-42)55(58(75)50-38-71(46-30-18-7-19-31-46)67-54(50)61(78)64-43-24-12-4-13-25-43)68-72(39)47-34-32-40(33-35-47)56(73)48-36-69(44-26-14-5-15-27-44)65-52(48)59(76)62-41-20-8-2-9-21-41/h2-38H,1H3,(H,62,76)(H,63,77)(H,64,78)
InChIKeyVNEPPCASXYCIHU-UHFFFAOYSA-N
XLogP10.19
TPSA209.79 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds16
Heavy Atoms78
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001026.09
LogP ≤ 510.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

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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
(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
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
4-(2-methyl-4,5-diphenyl-1H-pyrrole-3-carbonyl)-N,1-diphenylpyrazole-3-carboxamide
CID 127041396
4-(2-methyl-4,5-diphenyl-1H-pyrrole-3-carbonyl)-1-(4-methylphenyl)-N-phenylpyrazole-3-carboxamide
CID 127041397
4-(1,3-diphenylpyrazole-4-carbonyl)-5-methyl-N,1-diphenylpyrazole-3-carboxamide
CID 24936118
5-methyl-N,1-diphenyl-4-[1-phenyl-3-(phenylcarbamoyl)pyrazole-4-carbonyl]pyrazole-3-carboxamide
CID 44456922
4-[3-acetyl-1-(3-methylphenyl)pyrazole-4-carbonyl]-5-methyl-N,1-diphenylpyrazole-3-carboxamide
CID 44456975

Frequently Asked Questions

What is the IUPAC name of 4-[4-[5-methyl-3,4-bis[1-phenyl-3-(phenylcarbamoyl)pyrazole-4-carbonyl]pyrazol-1-yl]benzoyl]-N,1-diphenylpyrazole-3-carboxamide?
The IUPAC name of 4-[4-[5-methyl-3,4-bis[1-phenyl-3-(phenylcarbamoyl)pyrazole-4-carbonyl]pyrazol-1-yl]benzoyl]-N,1-diphenylpyrazole-3-carboxamide (CID 139236281) is 4-[4-[5-methyl-3,4-bis[1-phenyl-3-(phenylcarbamoyl)pyrazole-4-carbonyl]pyrazol-1-yl]benzoyl]-N,1-diphenylpyrazole-3-carboxamide.
What is the SMILES notation for 4-[4-[5-methyl-3,4-bis[1-phenyl-3-(phenylcarbamoyl)pyrazole-4-carbonyl]pyrazol-1-yl]benzoyl]-N,1-diphenylpyrazole-3-carboxamide?
The canonical SMILES for 4-[4-[5-methyl-3,4-bis[1-phenyl-3-(phenylcarbamoyl)pyrazole-4-carbonyl]pyrazol-1-yl]benzoyl]-N,1-diphenylpyrazole-3-carboxamide is Cc1c(C(=O)c2cn(-c3ccccc3)nc2C(=O)Nc2ccccc2)c(C(=O)c2cn(-c3ccccc3)nc2C(=O)Nc2ccccc2)nn1-c1ccc(C(=O)c2cn(-c3ccccc3)nc2C(=O)Nc2ccccc2)cc1.
What is the InChIKey of 4-[4-[5-methyl-3,4-bis[1-phenyl-3-(phenylcarbamoyl)pyrazole-4-carbonyl]pyrazol-1-yl]benzoyl]-N,1-diphenylpyrazole-3-carboxamide?
The InChIKey is VNEPPCASXYCIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H43N11O6/c1-39-51(57(74)49-37-70(45-28-16-6-17-29-45)66-53(49)60(77)63-42-22-10-3-11-23-42)55(58(75)50-38-71(46-30-18-7-19-31-46)67-54(50)61(78)64-43-24-12-4-13-25-43)68-72(39)47-34-32-40(33-35-47)56(73)48-36-69(44-26-14-5-15-27-44)65-52(48)59(76)62-41-20-8-2-9-21-41/h2-38H,1H3,(H,62,76)(H,63,77)(H,64,78).
What are the key properties of 4-[4-[5-methyl-3,4-bis[1-phenyl-3-(phenylcarbamoyl)pyrazole-4-carbonyl]pyrazol-1-yl]benzoyl]-N,1-diphenylpyrazole-3-carboxamide?
4-[4-[5-methyl-3,4-bis[1-phenyl-3-(phenylcarbamoyl)pyrazole-4-carbonyl]pyrazol-1-yl]benzoyl]-N,1-diphenylpyrazole-3-carboxamide has a molecular weight of 1026.09 g/mol, XLogP of 10.19, 16 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[5-methyl-3,4-bis[1-phenyl-3-(phenylcarbamoyl)pyrazole-4-carbonyl]pyrazol-1-yl]benzoyl]-N,1-diphenylpyrazole-3-carboxamide is sourced from PubChem (CID 139236281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).