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

C44H31ClN8O4 — CID 139213755

IUPAC4-[1-(4-chlorophenyl)-5-methyl-3-[1-phenyl-3-(phenylcarbamoyl)pyrazole-4-carbonyl]pyrazole-4-carbonyl]-N,1-diphenylpyrazole-3-carboxamide
SMILESCc1c(C(=O)c2cn(-c3ccccc3)nc2C(=O)Nc2ccccc2)c(C(=O)c2cn(-c3ccccc3)nc2C(=O)Nc2ccccc2)nn1-c1ccc(Cl)cc1
InChIInChI=1S/C44H31ClN8O4/c1-28-37(41(54)35-26-51(32-18-10-4-11-19-32)48-38(35)43(56)46-30-14-6-2-7-15-30)40(50-53(28)34-24-22-29(45)23-25-34)42(55)36-27-52(33-20-12-5-13-21-33)49-39(36)44(57)47-31-16-8-3-9-17-31/h2-27H,1H3,(H,46,56)(H,47,57)
InChIKeyVFVPCCMQWNKUSQ-UHFFFAOYSA-N
MW771.24 g/mol
LogP8.17
Rot. Bonds11

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

4-[1-(4-chlorophenyl)-5-methyl-3-[1-phenyl-3-(phenylcarbamoyl)pyrazole-4-carbonyl]pyrazole-4-carbonyl]-N,1-diphenylpyrazole-3-carboxamide (PubChem CID 139213755) has the molecular formula C44H31ClN8O4 and a molecular weight of 771.24 g/mol. Its IUPAC name is 4-[1-(4-chlorophenyl)-5-methyl-3-[1-phenyl-3-(phenylcarbamoyl)pyrazole-4-carbonyl]pyrazole-4-carbonyl]-N,1-diphenylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-[1-(4-chlorophenyl)-5-methyl-3-[1-phenyl-3-(phenylcarbamoyl)pyrazole-4-carbonyl]pyrazole-4-carbonyl]-N,1-diphenylpyrazole-3-carboxamide
PubChem CID139213755
Molecular FormulaC44H31ClN8O4
Molecular Weight771.24 g/mol
Exact Mass770.22
IUPAC Name4-[1-(4-chlorophenyl)-5-methyl-3-[1-phenyl-3-(phenylcarbamoyl)pyrazole-4-carbonyl]pyrazole-4-carbonyl]-N,1-diphenylpyrazole-3-carboxamide
SMILESCc1c(C(=O)c2cn(-c3ccccc3)nc2C(=O)Nc2ccccc2)c(C(=O)c2cn(-c3ccccc3)nc2C(=O)Nc2ccccc2)nn1-c1ccc(Cl)cc1
InChIInChI=1S/C44H31ClN8O4/c1-28-37(41(54)35-26-51(32-18-10-4-11-19-32)48-38(35)43(56)46-30-14-6-2-7-15-30)40(50-53(28)34-24-22-29(45)23-25-34)42(55)36-27-52(33-20-12-5-13-21-33)49-39(36)44(57)47-31-16-8-3-9-17-31/h2-27H,1H3,(H,46,56)(H,47,57)
InChIKeyVFVPCCMQWNKUSQ-UHFFFAOYSA-N
XLogP8.17
TPSA145.80 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500771.24
LogP ≤ 58.17
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
4-(2-methyl-4,5-diphenyl-1H-pyrrole-3-carbonyl)-1-(4-methylphenyl)-N-phenylpyrazole-3-carboxamide
CID 127041397

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-chlorophenyl)-5-methyl-3-[1-phenyl-3-(phenylcarbamoyl)pyrazole-4-carbonyl]pyrazole-4-carbonyl]-N,1-diphenylpyrazole-3-carboxamide?
The IUPAC name of 4-[1-(4-chlorophenyl)-5-methyl-3-[1-phenyl-3-(phenylcarbamoyl)pyrazole-4-carbonyl]pyrazole-4-carbonyl]-N,1-diphenylpyrazole-3-carboxamide (CID 139213755) is 4-[1-(4-chlorophenyl)-5-methyl-3-[1-phenyl-3-(phenylcarbamoyl)pyrazole-4-carbonyl]pyrazole-4-carbonyl]-N,1-diphenylpyrazole-3-carboxamide.
What is the SMILES notation for 4-[1-(4-chlorophenyl)-5-methyl-3-[1-phenyl-3-(phenylcarbamoyl)pyrazole-4-carbonyl]pyrazole-4-carbonyl]-N,1-diphenylpyrazole-3-carboxamide?
The canonical SMILES for 4-[1-(4-chlorophenyl)-5-methyl-3-[1-phenyl-3-(phenylcarbamoyl)pyrazole-4-carbonyl]pyrazole-4-carbonyl]-N,1-diphenylpyrazole-3-carboxamide is Cc1c(C(=O)c2cn(-c3ccccc3)nc2C(=O)Nc2ccccc2)c(C(=O)c2cn(-c3ccccc3)nc2C(=O)Nc2ccccc2)nn1-c1ccc(Cl)cc1.
What is the InChIKey of 4-[1-(4-chlorophenyl)-5-methyl-3-[1-phenyl-3-(phenylcarbamoyl)pyrazole-4-carbonyl]pyrazole-4-carbonyl]-N,1-diphenylpyrazole-3-carboxamide?
The InChIKey is VFVPCCMQWNKUSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H31ClN8O4/c1-28-37(41(54)35-26-51(32-18-10-4-11-19-32)48-38(35)43(56)46-30-14-6-2-7-15-30)40(50-53(28)34-24-22-29(45)23-25-34)42(55)36-27-52(33-20-12-5-13-21-33)49-39(36)44(57)47-31-16-8-3-9-17-31/h2-27H,1H3,(H,46,56)(H,47,57).
What are the key properties of 4-[1-(4-chlorophenyl)-5-methyl-3-[1-phenyl-3-(phenylcarbamoyl)pyrazole-4-carbonyl]pyrazole-4-carbonyl]-N,1-diphenylpyrazole-3-carboxamide?
4-[1-(4-chlorophenyl)-5-methyl-3-[1-phenyl-3-(phenylcarbamoyl)pyrazole-4-carbonyl]pyrazole-4-carbonyl]-N,1-diphenylpyrazole-3-carboxamide has a molecular weight of 771.24 g/mol, XLogP of 8.17, 11 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-chlorophenyl)-5-methyl-3-[1-phenyl-3-(phenylcarbamoyl)pyrazole-4-carbonyl]pyrazole-4-carbonyl]-N,1-diphenylpyrazole-3-carboxamide is sourced from PubChem (CID 139213755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).