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

C64H49N11O6 — CID 139236282

IUPAC4-[4-[5-methyl-3,4-bis[1-(4-methylphenyl)-3-(phenylcarbamoyl)pyrazole-4-carbonyl]pyrazol-1-yl]benzoyl]-1-(4-methylphenyl)-N-phenylpyrazole-3-carboxamide
SMILESCc1ccc(-n2cc(C(=O)c3ccc(-n4nc(C(=O)c5cn(-c6ccc(C)cc6)nc5C(=O)Nc5ccccc5)c(C(=O)c5cn(-c6ccc(C)cc6)nc5C(=O)Nc5ccccc5)c4C)cc3)c(C(=O)Nc3ccccc3)n2)cc1
InChIInChI=1S/C64H49N11O6/c1-39-20-28-47(29-21-39)72-36-51(55(68-72)62(79)65-44-14-8-5-9-15-44)59(76)43-26-34-50(35-27-43)75-42(4)54(60(77)52-37-73(48-30-22-40(2)23-31-48)69-56(52)63(80)66-45-16-10-6-11-17-45)58(71-75)61(78)53-38-74(49-32-24-41(3)25-33-49)70-57(53)64(81)67-46-18-12-7-13-19-46/h5-38H,1-4H3,(H,65,79)(H,66,80)(H,67,81)
InChIKeyJGYFGBQFHLIBGZ-UHFFFAOYSA-N
MW1068.17 g/mol
LogP11.11
Rot. Bonds16

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

4-[4-[5-methyl-3,4-bis[1-(4-methylphenyl)-3-(phenylcarbamoyl)pyrazole-4-carbonyl]pyrazol-1-yl]benzoyl]-1-(4-methylphenyl)-N-phenylpyrazole-3-carboxamide (PubChem CID 139236282) has the molecular formula C64H49N11O6 and a molecular weight of 1068.17 g/mol. Its IUPAC name is 4-[4-[5-methyl-3,4-bis[1-(4-methylphenyl)-3-(phenylcarbamoyl)pyrazole-4-carbonyl]pyrazol-1-yl]benzoyl]-1-(4-methylphenyl)-N-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-[4-[5-methyl-3,4-bis[1-(4-methylphenyl)-3-(phenylcarbamoyl)pyrazole-4-carbonyl]pyrazol-1-yl]benzoyl]-1-(4-methylphenyl)-N-phenylpyrazole-3-carboxamide
PubChem CID139236282
Molecular FormulaC64H49N11O6
Molecular Weight1068.17 g/mol
Exact Mass1067.39
IUPAC Name4-[4-[5-methyl-3,4-bis[1-(4-methylphenyl)-3-(phenylcarbamoyl)pyrazole-4-carbonyl]pyrazol-1-yl]benzoyl]-1-(4-methylphenyl)-N-phenylpyrazole-3-carboxamide
SMILESCc1ccc(-n2cc(C(=O)c3ccc(-n4nc(C(=O)c5cn(-c6ccc(C)cc6)nc5C(=O)Nc5ccccc5)c(C(=O)c5cn(-c6ccc(C)cc6)nc5C(=O)Nc5ccccc5)c4C)cc3)c(C(=O)Nc3ccccc3)n2)cc1
InChIInChI=1S/C64H49N11O6/c1-39-20-28-47(29-21-39)72-36-51(55(68-72)62(79)65-44-14-8-5-9-15-44)59(76)43-26-34-50(35-27-43)75-42(4)54(60(77)52-37-73(48-30-22-40(2)23-31-48)69-56(52)63(80)66-45-16-10-6-11-17-45)58(71-75)61(78)53-38-74(49-32-24-41(3)25-33-49)70-57(53)64(81)67-46-18-12-7-13-19-46/h5-38H,1-4H3,(H,65,79)(H,66,80)(H,67,81)
InChIKeyJGYFGBQFHLIBGZ-UHFFFAOYSA-N
XLogP11.11
TPSA209.79 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds16
Heavy Atoms81
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001068.17
LogP ≤ 511.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Analyze 4-[4-[5-methyl-3,4-bis[1-(4-methylphenyl)-3-(phenylcarbamoyl)pyrazole-4-carbonyl]pyrazol-1-yl]benzoyl]-1-(4-methylphenyl)-N-phenylpyrazole-3-carboxamide with MolForge

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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-(4-methylphenyl)-3-(phenylcarbamoyl)pyrazole-4-carbonyl]pyrazol-1-yl]benzoyl]-1-(4-methylphenyl)-N-phenylpyrazole-3-carboxamide?
The IUPAC name of 4-[4-[5-methyl-3,4-bis[1-(4-methylphenyl)-3-(phenylcarbamoyl)pyrazole-4-carbonyl]pyrazol-1-yl]benzoyl]-1-(4-methylphenyl)-N-phenylpyrazole-3-carboxamide (CID 139236282) is 4-[4-[5-methyl-3,4-bis[1-(4-methylphenyl)-3-(phenylcarbamoyl)pyrazole-4-carbonyl]pyrazol-1-yl]benzoyl]-1-(4-methylphenyl)-N-phenylpyrazole-3-carboxamide.
What is the SMILES notation for 4-[4-[5-methyl-3,4-bis[1-(4-methylphenyl)-3-(phenylcarbamoyl)pyrazole-4-carbonyl]pyrazol-1-yl]benzoyl]-1-(4-methylphenyl)-N-phenylpyrazole-3-carboxamide?
The canonical SMILES for 4-[4-[5-methyl-3,4-bis[1-(4-methylphenyl)-3-(phenylcarbamoyl)pyrazole-4-carbonyl]pyrazol-1-yl]benzoyl]-1-(4-methylphenyl)-N-phenylpyrazole-3-carboxamide is Cc1ccc(-n2cc(C(=O)c3ccc(-n4nc(C(=O)c5cn(-c6ccc(C)cc6)nc5C(=O)Nc5ccccc5)c(C(=O)c5cn(-c6ccc(C)cc6)nc5C(=O)Nc5ccccc5)c4C)cc3)c(C(=O)Nc3ccccc3)n2)cc1.
What is the InChIKey of 4-[4-[5-methyl-3,4-bis[1-(4-methylphenyl)-3-(phenylcarbamoyl)pyrazole-4-carbonyl]pyrazol-1-yl]benzoyl]-1-(4-methylphenyl)-N-phenylpyrazole-3-carboxamide?
The InChIKey is JGYFGBQFHLIBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H49N11O6/c1-39-20-28-47(29-21-39)72-36-51(55(68-72)62(79)65-44-14-8-5-9-15-44)59(76)43-26-34-50(35-27-43)75-42(4)54(60(77)52-37-73(48-30-22-40(2)23-31-48)69-56(52)63(80)66-45-16-10-6-11-17-45)58(71-75)61(78)53-38-74(49-32-24-41(3)25-33-49)70-57(53)64(81)67-46-18-12-7-13-19-46/h5-38H,1-4H3,(H,65,79)(H,66,80)(H,67,81).
What are the key properties of 4-[4-[5-methyl-3,4-bis[1-(4-methylphenyl)-3-(phenylcarbamoyl)pyrazole-4-carbonyl]pyrazol-1-yl]benzoyl]-1-(4-methylphenyl)-N-phenylpyrazole-3-carboxamide?
4-[4-[5-methyl-3,4-bis[1-(4-methylphenyl)-3-(phenylcarbamoyl)pyrazole-4-carbonyl]pyrazol-1-yl]benzoyl]-1-(4-methylphenyl)-N-phenylpyrazole-3-carboxamide has a molecular weight of 1068.17 g/mol, XLogP of 11.11, 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-(4-methylphenyl)-3-(phenylcarbamoyl)pyrazole-4-carbonyl]pyrazol-1-yl]benzoyl]-1-(4-methylphenyl)-N-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 139236282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).