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

C44H30Cl2N8O4 — CID 71552132

IUPAC1-(4-chlorophenyl)-4-[3-[1-(4-chlorophenyl)-3-(phenylcarbamoyl)pyrazole-4-carbonyl]-5-methyl-1-phenylpyrazole-4-carbonyl]-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-c1ccccc1
InChIInChI=1S/C44H30Cl2N8O4/c1-27-37(41(55)35-25-52(32-21-17-28(45)18-22-32)49-38(35)43(57)47-30-11-5-2-6-12-30)40(51-54(27)34-15-9-4-10-16-34)42(56)36-26-53(33-23-19-29(46)20-24-33)50-39(36)44(58)48-31-13-7-3-8-14-31/h2-26H,1H3,(H,47,57)(H,48,58)
InChIKeyFHQIJZCQTZNSBM-UHFFFAOYSA-N
MW805.68 g/mol
LogP8.83
Rot. Bonds11

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

1-(4-chlorophenyl)-4-[3-[1-(4-chlorophenyl)-3-(phenylcarbamoyl)pyrazole-4-carbonyl]-5-methyl-1-phenylpyrazole-4-carbonyl]-N-phenylpyrazole-3-carboxamide (PubChem CID 71552132) has the molecular formula C44H30Cl2N8O4 and a molecular weight of 805.68 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-[3-[1-(4-chlorophenyl)-3-(phenylcarbamoyl)pyrazole-4-carbonyl]-5-methyl-1-phenylpyrazole-4-carbonyl]-N-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-[3-[1-(4-chlorophenyl)-3-(phenylcarbamoyl)pyrazole-4-carbonyl]-5-methyl-1-phenylpyrazole-4-carbonyl]-N-phenylpyrazole-3-carboxamide
PubChem CID71552132
Molecular FormulaC44H30Cl2N8O4
Molecular Weight805.68 g/mol
Exact Mass804.18
IUPAC Name1-(4-chlorophenyl)-4-[3-[1-(4-chlorophenyl)-3-(phenylcarbamoyl)pyrazole-4-carbonyl]-5-methyl-1-phenylpyrazole-4-carbonyl]-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-c1ccccc1
InChIInChI=1S/C44H30Cl2N8O4/c1-27-37(41(55)35-25-52(32-21-17-28(45)18-22-32)49-38(35)43(57)47-30-11-5-2-6-12-30)40(51-54(27)34-15-9-4-10-16-34)42(56)36-26-53(33-23-19-29(46)20-24-33)50-39(36)44(58)48-31-13-7-3-8-14-31/h2-26H,1H3,(H,47,57)(H,48,58)
InChIKeyFHQIJZCQTZNSBM-UHFFFAOYSA-N
XLogP8.83
TPSA145.80 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500805.68
LogP ≤ 58.83
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-chlorophenyl)pyrazole-3-carbonyl]-1-phenylpyrazol-3-yl]ethanone
CID 45277744
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-(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
3-[3-Benzoyl-1-(4-chlorophenyl)pyrazole-4-carbonyl]-1,5-diphenylpyrazole-4-carbonitrile
CID 50906232
1-[1-(4-chlorophenyl)-4-(2-methyl-4,5-diphenyl-1H-pyrrole-3-carbonyl)pyrazol-3-yl]ethanone
CID 127038362
4-(2-methyl-4,5-diphenyl-1H-pyrrole-3-carbonyl)-N,1-diphenylpyrazole-3-carboxamide
CID 127041396
1-(4-chlorophenyl)-4-(2-methyl-4,5-diphenyl-1H-pyrrole-3-carbonyl)-N-phenylpyrazole-3-carboxamide
CID 127041398

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-4-[3-[1-(4-chlorophenyl)-3-(phenylcarbamoyl)pyrazole-4-carbonyl]-5-methyl-1-phenylpyrazole-4-carbonyl]-N-phenylpyrazole-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-4-[3-[1-(4-chlorophenyl)-3-(phenylcarbamoyl)pyrazole-4-carbonyl]-5-methyl-1-phenylpyrazole-4-carbonyl]-N-phenylpyrazole-3-carboxamide (CID 71552132) is 1-(4-chlorophenyl)-4-[3-[1-(4-chlorophenyl)-3-(phenylcarbamoyl)pyrazole-4-carbonyl]-5-methyl-1-phenylpyrazole-4-carbonyl]-N-phenylpyrazole-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-4-[3-[1-(4-chlorophenyl)-3-(phenylcarbamoyl)pyrazole-4-carbonyl]-5-methyl-1-phenylpyrazole-4-carbonyl]-N-phenylpyrazole-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-4-[3-[1-(4-chlorophenyl)-3-(phenylcarbamoyl)pyrazole-4-carbonyl]-5-methyl-1-phenylpyrazole-4-carbonyl]-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-c1ccccc1.
What is the InChIKey of 1-(4-chlorophenyl)-4-[3-[1-(4-chlorophenyl)-3-(phenylcarbamoyl)pyrazole-4-carbonyl]-5-methyl-1-phenylpyrazole-4-carbonyl]-N-phenylpyrazole-3-carboxamide?
The InChIKey is FHQIJZCQTZNSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H30Cl2N8O4/c1-27-37(41(55)35-25-52(32-21-17-28(45)18-22-32)49-38(35)43(57)47-30-11-5-2-6-12-30)40(51-54(27)34-15-9-4-10-16-34)42(56)36-26-53(33-23-19-29(46)20-24-33)50-39(36)44(58)48-31-13-7-3-8-14-31/h2-26H,1H3,(H,47,57)(H,48,58).
What are the key properties of 1-(4-chlorophenyl)-4-[3-[1-(4-chlorophenyl)-3-(phenylcarbamoyl)pyrazole-4-carbonyl]-5-methyl-1-phenylpyrazole-4-carbonyl]-N-phenylpyrazole-3-carboxamide?
1-(4-chlorophenyl)-4-[3-[1-(4-chlorophenyl)-3-(phenylcarbamoyl)pyrazole-4-carbonyl]-5-methyl-1-phenylpyrazole-4-carbonyl]-N-phenylpyrazole-3-carboxamide has a molecular weight of 805.68 g/mol, XLogP of 8.83, 11 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4-[3-[1-(4-chlorophenyl)-3-(phenylcarbamoyl)pyrazole-4-carbonyl]-5-methyl-1-phenylpyrazole-4-carbonyl]-N-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 71552132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).