4-benzyl-N-(4-bromophenyl)-5-(4-chlorophenyl)-4-methyl-3H-pyrazole-2-carboxamide

C24H21BrClN3O — CID 19852790

IUPAC4-benzyl-N-(4-bromophenyl)-5-(4-chlorophenyl)-4-methyl-3H-pyrazole-2-carboxamide
SMILESCC1(Cc2ccccc2)CN(C(=O)Nc2ccc(Br)cc2)N=C1c1ccc(Cl)cc1
InChIInChI=1S/C24H21BrClN3O/c1-24(15-17-5-3-2-4-6-17)16-29(23(30)27-21-13-9-19(25)10-14-21)28-22(24)18-7-11-20(26)12-8-18/h2-14H,15-16H2,1H3,(H,27,30)
InChIKeyZDZKOQOHOVAEGU-UHFFFAOYSA-N
MW482.81 g/mol
LogP6.60
Rot. Bonds4

About 4-benzyl-N-(4-bromophenyl)-5-(4-chlorophenyl)-4-methyl-3H-pyrazole-2-carboxamide

4-benzyl-N-(4-bromophenyl)-5-(4-chlorophenyl)-4-methyl-3H-pyrazole-2-carboxamide (PubChem CID 19852790) has the molecular formula C24H21BrClN3O and a molecular weight of 482.81 g/mol. Its IUPAC name is 4-benzyl-N-(4-bromophenyl)-5-(4-chlorophenyl)-4-methyl-3H-pyrazole-2-carboxamide.

Molecular Properties

Compound Name4-benzyl-N-(4-bromophenyl)-5-(4-chlorophenyl)-4-methyl-3H-pyrazole-2-carboxamide
PubChem CID19852790
Molecular FormulaC24H21BrClN3O
Molecular Weight482.81 g/mol
Exact Mass481.06
IUPAC Name4-benzyl-N-(4-bromophenyl)-5-(4-chlorophenyl)-4-methyl-3H-pyrazole-2-carboxamide
SMILESCC1(Cc2ccccc2)CN(C(=O)Nc2ccc(Br)cc2)N=C1c1ccc(Cl)cc1
InChIInChI=1S/C24H21BrClN3O/c1-24(15-17-5-3-2-4-6-17)16-29(23(30)27-21-13-9-19(25)10-14-21)28-22(24)18-7-11-20(26)12-8-18/h2-14H,15-16H2,1H3,(H,27,30)
InChIKeyZDZKOQOHOVAEGU-UHFFFAOYSA-N
XLogP6.60
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.81
LogP ≤ 56.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 5-(4-bromophenyl)-2-[(4-chlorophenyl)carbamoyl]-4-methyl-3H-pyrazole-4-carboxylate
CID 19852243
4-benzoyl-N,5-bis(4-chlorophenyl)-4-methyl-3H-pyrazole-2-carboxamide
CID 19852791
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-N-(4-nitrophenyl)-4-phenyl-3H-pyrazole-2-carboxamide
CID 19852526
5-(4-chlorophenyl)-4-methyl-4-(2-methylprop-2-enyl)-N-[4-(trifluoromethoxy)phenyl]-3H-pyrazole-2-carboxamide
CID 19852198
N-(4-bromophenyl)-5-[3-chloro-4-(trifluoromethyl)phenyl]-4-methyl-4-prop-2-enyl-3H-pyrazole-2-carboxamide
CID 19852722
5-(4-chlorophenyl)-4-methyl-2-[[4-(trifluoromethyl)phenyl]carbamoyl]-3H-pyrazole-4-carboxylic acid
CID 18980917
S-methyl 2-[[5-(4-chlorophenyl)-2-[(4-chlorophenyl)carbamoyl]-4-methyl-3H-pyrazol-4-yl]oxy]ethanethioate
CID 19852547
N-(3-bromophenyl)-5-(4-chlorophenyl)-4-methyl-4-propylsulfanyl-3H-pyrazole-2-carboxamide
CID 19852307
ethyl 2-[(3-bromophenyl)carbamoyl]-5-(4-chlorophenyl)-4-methyl-3H-pyrazole-4-carboxylate
CID 19852826
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-benzyl-N-(4-bromophenyl)-5-(4-chlorophenyl)-4-methyl-3H-pyrazole-2-carboxamide?
The IUPAC name of 4-benzyl-N-(4-bromophenyl)-5-(4-chlorophenyl)-4-methyl-3H-pyrazole-2-carboxamide (CID 19852790) is 4-benzyl-N-(4-bromophenyl)-5-(4-chlorophenyl)-4-methyl-3H-pyrazole-2-carboxamide.
What is the SMILES notation for 4-benzyl-N-(4-bromophenyl)-5-(4-chlorophenyl)-4-methyl-3H-pyrazole-2-carboxamide?
The canonical SMILES for 4-benzyl-N-(4-bromophenyl)-5-(4-chlorophenyl)-4-methyl-3H-pyrazole-2-carboxamide is CC1(Cc2ccccc2)CN(C(=O)Nc2ccc(Br)cc2)N=C1c1ccc(Cl)cc1.
What is the InChIKey of 4-benzyl-N-(4-bromophenyl)-5-(4-chlorophenyl)-4-methyl-3H-pyrazole-2-carboxamide?
The InChIKey is ZDZKOQOHOVAEGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21BrClN3O/c1-24(15-17-5-3-2-4-6-17)16-29(23(30)27-21-13-9-19(25)10-14-21)28-22(24)18-7-11-20(26)12-8-18/h2-14H,15-16H2,1H3,(H,27,30).
What are the key properties of 4-benzyl-N-(4-bromophenyl)-5-(4-chlorophenyl)-4-methyl-3H-pyrazole-2-carboxamide?
4-benzyl-N-(4-bromophenyl)-5-(4-chlorophenyl)-4-methyl-3H-pyrazole-2-carboxamide has a molecular weight of 482.81 g/mol, XLogP of 6.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-(4-bromophenyl)-5-(4-chlorophenyl)-4-methyl-3H-pyrazole-2-carboxamide is sourced from PubChem (CID 19852790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).