4-benzoyl-N,5-bis(4-chlorophenyl)-4-methyl-3H-pyrazole-2-carboxamide

C24H19Cl2N3O2 — CID 19852791

IUPAC4-benzoyl-N,5-bis(4-chlorophenyl)-4-methyl-3H-pyrazole-2-carboxamide
SMILESCC1(C(=O)c2ccccc2)CN(C(=O)Nc2ccc(Cl)cc2)N=C1c1ccc(Cl)cc1
InChIInChI=1S/C24H19Cl2N3O2/c1-24(22(30)17-5-3-2-4-6-17)15-29(23(31)27-20-13-11-19(26)12-14-20)28-21(24)16-7-9-18(25)10-8-16/h2-14H,15H2,1H3,(H,27,31)
InChIKeyTXZLXDLTSNBLOZ-UHFFFAOYSA-N
MW452.34 g/mol
LogP6.13
Rot. Bonds4

About 4-benzoyl-N,5-bis(4-chlorophenyl)-4-methyl-3H-pyrazole-2-carboxamide

4-benzoyl-N,5-bis(4-chlorophenyl)-4-methyl-3H-pyrazole-2-carboxamide (PubChem CID 19852791) has the molecular formula C24H19Cl2N3O2 and a molecular weight of 452.34 g/mol. Its IUPAC name is 4-benzoyl-N,5-bis(4-chlorophenyl)-4-methyl-3H-pyrazole-2-carboxamide.

Molecular Properties

Compound Name4-benzoyl-N,5-bis(4-chlorophenyl)-4-methyl-3H-pyrazole-2-carboxamide
PubChem CID19852791
Molecular FormulaC24H19Cl2N3O2
Molecular Weight452.34 g/mol
Exact Mass451.09
IUPAC Name4-benzoyl-N,5-bis(4-chlorophenyl)-4-methyl-3H-pyrazole-2-carboxamide
SMILESCC1(C(=O)c2ccccc2)CN(C(=O)Nc2ccc(Cl)cc2)N=C1c1ccc(Cl)cc1
InChIInChI=1S/C24H19Cl2N3O2/c1-24(22(30)17-5-3-2-4-6-17)15-29(23(31)27-20-13-11-19(26)12-14-20)28-21(24)16-7-9-18(25)10-8-16/h2-14H,15H2,1H3,(H,27,31)
InChIKeyTXZLXDLTSNBLOZ-UHFFFAOYSA-N
XLogP6.13
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.34
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetyl-N,5-bis(4-chlorophenyl)-4-methyl-3H-pyrazole-2-carboxamide
CID 19852210
methyl 2-[(4-chlorophenyl)carbamoyl]-4-methyl-5-phenyl-3H-pyrazole-4-carboxylate
CID 19852461
5-(4-chlorophenyl)-4-methyl-2-[[4-(trifluoromethyl)phenyl]carbamoyl]-3H-pyrazole-4-carboxylic acid
CID 18980917
methyl 5-(4-bromophenyl)-2-[(4-chlorophenyl)carbamoyl]-4-methyl-3H-pyrazole-4-carboxylate
CID 19852243
5-(4-chlorophenyl)-4-methyl-N-(4-nitrophenyl)-4-phenyl-3H-pyrazole-2-carboxamide
CID 19852526
5-(4-chlorophenyl)-4-methyl-2-[[4-(trifluoromethyl)phenyl]carbamoyl]-3H-pyrazole-4-carbonyl chloride
CID 18980972
4-benzyl-N-(4-bromophenyl)-5-(4-chlorophenyl)-4-methyl-3H-pyrazole-2-carboxamide
CID 19852790
ethyl 2-[(3-bromophenyl)carbamoyl]-5-(4-chlorophenyl)-4-methyl-3H-pyrazole-4-carboxylate
CID 19852826
S-methyl 2-[[5-(4-chlorophenyl)-2-[(4-chlorophenyl)carbamoyl]-4-methyl-3H-pyrazol-4-yl]oxy]ethanethioate
CID 19852547
ethyl 5-(4-chlorophenyl)-4-methyl-2-[(3-methylsulfonylphenyl)carbamoyl]-3H-pyrazole-4-carboxylate
CID 19852693
methyl 4-[[5-(4-chlorophenyl)-2-[(4-chlorophenyl)carbamoyl]-4-methyl-3H-pyrazol-4-yl]sulfanyl]butanoate
CID 54363812
5-(4-chlorophenyl)-4-(methylsulfanylmethyl)-4-phenyl-N-[4-(trifluoromethoxy)phenyl]-3H-pyrazole-2-carboxamide
CID 19852747

Frequently Asked Questions

What is the IUPAC name of 4-benzoyl-N,5-bis(4-chlorophenyl)-4-methyl-3H-pyrazole-2-carboxamide?
The IUPAC name of 4-benzoyl-N,5-bis(4-chlorophenyl)-4-methyl-3H-pyrazole-2-carboxamide (CID 19852791) is 4-benzoyl-N,5-bis(4-chlorophenyl)-4-methyl-3H-pyrazole-2-carboxamide.
What is the SMILES notation for 4-benzoyl-N,5-bis(4-chlorophenyl)-4-methyl-3H-pyrazole-2-carboxamide?
The canonical SMILES for 4-benzoyl-N,5-bis(4-chlorophenyl)-4-methyl-3H-pyrazole-2-carboxamide is CC1(C(=O)c2ccccc2)CN(C(=O)Nc2ccc(Cl)cc2)N=C1c1ccc(Cl)cc1.
What is the InChIKey of 4-benzoyl-N,5-bis(4-chlorophenyl)-4-methyl-3H-pyrazole-2-carboxamide?
The InChIKey is TXZLXDLTSNBLOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19Cl2N3O2/c1-24(22(30)17-5-3-2-4-6-17)15-29(23(31)27-20-13-11-19(26)12-14-20)28-21(24)16-7-9-18(25)10-8-16/h2-14H,15H2,1H3,(H,27,31).
What are the key properties of 4-benzoyl-N,5-bis(4-chlorophenyl)-4-methyl-3H-pyrazole-2-carboxamide?
4-benzoyl-N,5-bis(4-chlorophenyl)-4-methyl-3H-pyrazole-2-carboxamide has a molecular weight of 452.34 g/mol, XLogP of 6.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzoyl-N,5-bis(4-chlorophenyl)-4-methyl-3H-pyrazole-2-carboxamide is sourced from PubChem (CID 19852791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).