4-[4-[3,4-bis[1-(4-chlorophenyl)-3-(phenylcarbamoyl)pyrazole-4-carbonyl]-5-methylpyrazol-1-yl]benzoyl]-1-(4-chlorophenyl)-N-phenylpyrazole-3-carboxamide

C61H40Cl3N11O6 — CID 139236283

IUPAC4-[4-[3,4-bis[1-(4-chlorophenyl)-3-(phenylcarbamoyl)pyrazole-4-carbonyl]-5-methylpyrazol-1-yl]benzoyl]-1-(4-chlorophenyl)-N-phenylpyrazole-3-carboxamide
SMILESCc1c(C(=O)c2cn(-c3ccc(Cl)cc3)nc2C(=O)Nc2ccccc2)c(C(=O)c2cn(-c3ccc(Cl)cc3)nc2C(=O)Nc2ccccc2)nn1-c1ccc(C(=O)c2cn(-c3ccc(Cl)cc3)nc2C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C61H40Cl3N11O6/c1-36-51(57(77)49-34-73(45-29-21-39(63)22-30-45)69-53(49)60(80)66-42-13-7-3-8-14-42)55(58(78)50-35-74(46-31-23-40(64)24-32-46)70-54(50)61(81)67-43-15-9-4-10-16-43)71-75(36)47-25-17-37(18-26-47)56(76)48-33-72(44-27-19-38(62)20-28-44)68-52(48)59(79)65-41-11-5-2-6-12-41/h2-35H,1H3,(H,65,79)(H,66,80)(H,67,81)
InChIKeyNZGCFNXIOOPMAW-UHFFFAOYSA-N
MW1129.42 g/mol
LogP12.15
Rot. Bonds16

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

4-[4-[3,4-bis[1-(4-chlorophenyl)-3-(phenylcarbamoyl)pyrazole-4-carbonyl]-5-methylpyrazol-1-yl]benzoyl]-1-(4-chlorophenyl)-N-phenylpyrazole-3-carboxamide (PubChem CID 139236283) has the molecular formula C61H40Cl3N11O6 and a molecular weight of 1129.42 g/mol. Its IUPAC name is 4-[4-[3,4-bis[1-(4-chlorophenyl)-3-(phenylcarbamoyl)pyrazole-4-carbonyl]-5-methylpyrazol-1-yl]benzoyl]-1-(4-chlorophenyl)-N-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-[4-[3,4-bis[1-(4-chlorophenyl)-3-(phenylcarbamoyl)pyrazole-4-carbonyl]-5-methylpyrazol-1-yl]benzoyl]-1-(4-chlorophenyl)-N-phenylpyrazole-3-carboxamide
PubChem CID139236283
Molecular FormulaC61H40Cl3N11O6
Molecular Weight1129.42 g/mol
Exact Mass1127.22
IUPAC Name4-[4-[3,4-bis[1-(4-chlorophenyl)-3-(phenylcarbamoyl)pyrazole-4-carbonyl]-5-methylpyrazol-1-yl]benzoyl]-1-(4-chlorophenyl)-N-phenylpyrazole-3-carboxamide
SMILESCc1c(C(=O)c2cn(-c3ccc(Cl)cc3)nc2C(=O)Nc2ccccc2)c(C(=O)c2cn(-c3ccc(Cl)cc3)nc2C(=O)Nc2ccccc2)nn1-c1ccc(C(=O)c2cn(-c3ccc(Cl)cc3)nc2C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C61H40Cl3N11O6/c1-36-51(57(77)49-34-73(45-29-21-39(63)22-30-45)69-53(49)60(80)66-42-13-7-3-8-14-42)55(58(78)50-35-74(46-31-23-40(64)24-32-46)70-54(50)61(81)67-43-15-9-4-10-16-43)71-75(36)47-25-17-37(18-26-47)56(76)48-33-72(44-27-19-38(62)20-28-44)68-52(48)59(79)65-41-11-5-2-6-12-41/h2-35H,1H3,(H,65,79)(H,66,80)(H,67,81)
InChIKeyNZGCFNXIOOPMAW-UHFFFAOYSA-N
XLogP12.15
TPSA209.79 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds16
Heavy Atoms81
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001129.42
LogP ≤ 512.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

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

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Related Compounds

1-[4-[4-Benzoyl-1-(4-chlorophenyl)pyrazole-3-carbonyl]-1-phenylpyrazol-3-yl]ethanone
CID 45277744
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-(4-chlorophenyl)pyrazole-3-carbonyl]-1-phenylpyrazol-3-yl]-3-(dimethylamino)prop-2-en-1-one
CID 45277903
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
1-(4-chlorophenyl)-4-(2-methyl-4,5-diphenyl-1H-pyrrole-3-carbonyl)-N-phenylpyrazole-3-carboxamide
CID 127041398
4-(1,3-diphenylpyrazole-4-carbonyl)-5-methyl-N,1-diphenylpyrazole-3-carboxamide
CID 24936118
4-[3-acetyl-1-(4-methylphenyl)pyrazole-4-carbonyl]-5-methyl-N,1-diphenylpyrazole-3-carboxamide
CID 44456976
(2'S,3R,3'R,3'aS)-5-chloro-3'-(1,3-diphenylpyrazol-4-yl)-2'-(4-nitrobenzoyl)spiro[1H-indole-3,1'-2,3,3a,4,4a,5,6,7,8,8a-decahydropyrrolo[1,2-a]indole]-2-one
CID 177378897
(2'S,3R,3'R,3'aS)-5-chloro-3'-(1,3-diphenylpyrazol-4-yl)-2'-(2-nitrobenzoyl)spiro[1H-indole-3,1'-2,3,3a,4,4a,5,6,7,8,8a-decahydropyrrolo[1,2-a]indole]-2-one
CID 177378898
(2'S,3R,3'R,3'aS)-2'-benzoyl-5-chloro-3'-(1,3-diphenylpyrazol-4-yl)spiro[1H-indole-3,1'-2,3,3a,4,4a,5,6,7,8,8a-decahydropyrrolo[1,2-a]indole]-2-one
CID 177641314

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3,4-bis[1-(4-chlorophenyl)-3-(phenylcarbamoyl)pyrazole-4-carbonyl]-5-methylpyrazol-1-yl]benzoyl]-1-(4-chlorophenyl)-N-phenylpyrazole-3-carboxamide?
The IUPAC name of 4-[4-[3,4-bis[1-(4-chlorophenyl)-3-(phenylcarbamoyl)pyrazole-4-carbonyl]-5-methylpyrazol-1-yl]benzoyl]-1-(4-chlorophenyl)-N-phenylpyrazole-3-carboxamide (CID 139236283) is 4-[4-[3,4-bis[1-(4-chlorophenyl)-3-(phenylcarbamoyl)pyrazole-4-carbonyl]-5-methylpyrazol-1-yl]benzoyl]-1-(4-chlorophenyl)-N-phenylpyrazole-3-carboxamide.
What is the SMILES notation for 4-[4-[3,4-bis[1-(4-chlorophenyl)-3-(phenylcarbamoyl)pyrazole-4-carbonyl]-5-methylpyrazol-1-yl]benzoyl]-1-(4-chlorophenyl)-N-phenylpyrazole-3-carboxamide?
The canonical SMILES for 4-[4-[3,4-bis[1-(4-chlorophenyl)-3-(phenylcarbamoyl)pyrazole-4-carbonyl]-5-methylpyrazol-1-yl]benzoyl]-1-(4-chlorophenyl)-N-phenylpyrazole-3-carboxamide is Cc1c(C(=O)c2cn(-c3ccc(Cl)cc3)nc2C(=O)Nc2ccccc2)c(C(=O)c2cn(-c3ccc(Cl)cc3)nc2C(=O)Nc2ccccc2)nn1-c1ccc(C(=O)c2cn(-c3ccc(Cl)cc3)nc2C(=O)Nc2ccccc2)cc1.
What is the InChIKey of 4-[4-[3,4-bis[1-(4-chlorophenyl)-3-(phenylcarbamoyl)pyrazole-4-carbonyl]-5-methylpyrazol-1-yl]benzoyl]-1-(4-chlorophenyl)-N-phenylpyrazole-3-carboxamide?
The InChIKey is NZGCFNXIOOPMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H40Cl3N11O6/c1-36-51(57(77)49-34-73(45-29-21-39(63)22-30-45)69-53(49)60(80)66-42-13-7-3-8-14-42)55(58(78)50-35-74(46-31-23-40(64)24-32-46)70-54(50)61(81)67-43-15-9-4-10-16-43)71-75(36)47-25-17-37(18-26-47)56(76)48-33-72(44-27-19-38(62)20-28-44)68-52(48)59(79)65-41-11-5-2-6-12-41/h2-35H,1H3,(H,65,79)(H,66,80)(H,67,81).
What are the key properties of 4-[4-[3,4-bis[1-(4-chlorophenyl)-3-(phenylcarbamoyl)pyrazole-4-carbonyl]-5-methylpyrazol-1-yl]benzoyl]-1-(4-chlorophenyl)-N-phenylpyrazole-3-carboxamide?
4-[4-[3,4-bis[1-(4-chlorophenyl)-3-(phenylcarbamoyl)pyrazole-4-carbonyl]-5-methylpyrazol-1-yl]benzoyl]-1-(4-chlorophenyl)-N-phenylpyrazole-3-carboxamide has a molecular weight of 1129.42 g/mol, XLogP of 12.15, 16 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3,4-bis[1-(4-chlorophenyl)-3-(phenylcarbamoyl)pyrazole-4-carbonyl]-5-methylpyrazol-1-yl]benzoyl]-1-(4-chlorophenyl)-N-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 139236283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).