4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]benzamide

C24H23Cl2N5O — CID 19335276

IUPAC4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]benzamide
SMILESCc1nn(Cc2ccc(C(=O)Nc3cc(C)n(Cc4ccccc4Cl)n3)cc2)c(C)c1Cl
InChIInChI=1S/C24H23Cl2N5O/c1-15-12-22(29-30(15)14-20-6-4-5-7-21(20)25)27-24(32)19-10-8-18(9-11-19)13-31-17(3)23(26)16(2)28-31/h4-12H,13-14H2,1-3H3,(H,27,29,32)
InChIKeyIJHIDWAENFJXQC-UHFFFAOYSA-N
MW468.39 g/mol
LogP5.66
Rot. Bonds6

About 4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]benzamide

4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]benzamide (PubChem CID 19335276) has the molecular formula C24H23Cl2N5O and a molecular weight of 468.39 g/mol. Its IUPAC name is 4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]benzamide.

Molecular Properties

Compound Name4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]benzamide
PubChem CID19335276
Molecular FormulaC24H23Cl2N5O
Molecular Weight468.39 g/mol
Exact Mass467.13
IUPAC Name4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]benzamide
SMILESCc1nn(Cc2ccc(C(=O)Nc3cc(C)n(Cc4ccccc4Cl)n3)cc2)c(C)c1Cl
InChIInChI=1S/C24H23Cl2N5O/c1-15-12-22(29-30(15)14-20-6-4-5-7-21(20)25)27-24(32)19-10-8-18(9-11-19)13-31-17(3)23(26)16(2)28-31/h4-12H,13-14H2,1-3H3,(H,27,29,32)
InChIKeyIJHIDWAENFJXQC-UHFFFAOYSA-N
XLogP5.66
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.39
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]benzamide
CID 19337293
N-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-methylbenzamide
CID 19335243
N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 19287124
4-[(3-chlorophenoxy)methyl]-N-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]benzamide
CID 19335279
N-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-nitrobenzamide
CID 19335373
N-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-(difluoromethoxy)benzamide
CID 19335188
4-chloro-N-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]benzamide
CID 19335656
3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19285483
1-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-[1-[(3,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]thiourea
CID 19403763
3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[5-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]benzamide
CID 19345931
3-chloro-N-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-1-benzothiophene-2-carboxamide
CID 19335367
4-[(2-bromophenoxy)methyl]-N-[1-[(2-chloro-4-fluorophenyl)methyl]-5-methylpyrazol-3-yl]benzamide
CID 19345449

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]benzamide?
The IUPAC name of 4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]benzamide (CID 19335276) is 4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]benzamide.
What is the SMILES notation for 4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]benzamide?
The canonical SMILES for 4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]benzamide is Cc1nn(Cc2ccc(C(=O)Nc3cc(C)n(Cc4ccccc4Cl)n3)cc2)c(C)c1Cl.
What is the InChIKey of 4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]benzamide?
The InChIKey is IJHIDWAENFJXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23Cl2N5O/c1-15-12-22(29-30(15)14-20-6-4-5-7-21(20)25)27-24(32)19-10-8-18(9-11-19)13-31-17(3)23(26)16(2)28-31/h4-12H,13-14H2,1-3H3,(H,27,29,32).
What are the key properties of 4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]benzamide?
4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]benzamide has a molecular weight of 468.39 g/mol, XLogP of 5.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]benzamide is sourced from PubChem (CID 19335276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).