1-benzyl-5-chloro-N-[5-chloro-2-(3-methylphenoxy)phenyl]-3-methylpyrazole-4-carboxamide

C25H21Cl2N3O2 — CID 4965546

IUPAC1-benzyl-5-chloro-N-[5-chloro-2-(3-methylphenoxy)phenyl]-3-methylpyrazole-4-carboxamide
SMILESCc1cccc(Oc2ccc(Cl)cc2NC(=O)c2c(C)nn(Cc3ccccc3)c2Cl)c1
InChIInChI=1S/C25H21Cl2N3O2/c1-16-7-6-10-20(13-16)32-22-12-11-19(26)14-21(22)28-25(31)23-17(2)29-30(24(23)27)15-18-8-4-3-5-9-18/h3-14H,15H2,1-2H3,(H,28,31)
InChIKeyWNUUCGWESOYCFL-UHFFFAOYSA-N
MW466.37 g/mol
LogP6.90
Rot. Bonds6

About 1-benzyl-5-chloro-N-[5-chloro-2-(3-methylphenoxy)phenyl]-3-methylpyrazole-4-carboxamide

1-benzyl-5-chloro-N-[5-chloro-2-(3-methylphenoxy)phenyl]-3-methylpyrazole-4-carboxamide (PubChem CID 4965546) has the molecular formula C25H21Cl2N3O2 and a molecular weight of 466.37 g/mol. Its IUPAC name is 1-benzyl-5-chloro-N-[5-chloro-2-(3-methylphenoxy)phenyl]-3-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-5-chloro-N-[5-chloro-2-(3-methylphenoxy)phenyl]-3-methylpyrazole-4-carboxamide
PubChem CID4965546
Molecular FormulaC25H21Cl2N3O2
Molecular Weight466.37 g/mol
Exact Mass465.10
IUPAC Name1-benzyl-5-chloro-N-[5-chloro-2-(3-methylphenoxy)phenyl]-3-methylpyrazole-4-carboxamide
SMILESCc1cccc(Oc2ccc(Cl)cc2NC(=O)c2c(C)nn(Cc3ccccc3)c2Cl)c1
InChIInChI=1S/C25H21Cl2N3O2/c1-16-7-6-10-20(13-16)32-22-12-11-19(26)14-21(22)28-25(31)23-17(2)29-30(24(23)27)15-18-8-4-3-5-9-18/h3-14H,15H2,1-2H3,(H,28,31)
InChIKeyWNUUCGWESOYCFL-UHFFFAOYSA-N
XLogP6.90
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.37
LogP ≤ 56.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-(5-chloro-2-hydroxyphenyl)-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 56581250
5-chloro-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-1-[(4-fluorophenyl)methyl]-3-methylpyrazole-4-carboxamide
CID 55521609
1-[(2,4-dichlorophenyl)methyl]-3-methyl-N-[2-(3-methylphenoxy)phenyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 4852881
1-benzyl-N-(2-fluoro-5-methylphenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 35599064
1-benzyl-5-chloro-N-(3-fluorophenyl)-3-methylpyrazole-4-carboxamide
CID 9042502
1-benzyl-5-chloro-N-[2-chloro-5-(propan-2-ylcarbamoyl)phenyl]-3-methylpyrazole-4-carboxamide
CID 55817240
1-benzyl-5-chloro-N-(4-ethoxyphenyl)-3-methylpyrazole-4-carboxamide
CID 2489518
1-benzyl-5-chloro-N-(4-chloro-3-fluorophenyl)-3-methylpyrazole-4-carboxamide
CID 55796545
N-(5-chloro-2-phenoxyphenyl)-2,5-dimethylbenzamide
CID 100657509
1-benzyl-5-chloro-3-methyl-N-(2-methyl-5-methylsulfonylphenyl)pyrazole-4-carboxamide
CID 34194090
N-(5-chloro-2-phenoxyphenyl)-4-methylbenzamide
CID 956260
1-benzyl-5-chloro-N-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide
CID 8893300

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-chloro-N-[5-chloro-2-(3-methylphenoxy)phenyl]-3-methylpyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-5-chloro-N-[5-chloro-2-(3-methylphenoxy)phenyl]-3-methylpyrazole-4-carboxamide (CID 4965546) is 1-benzyl-5-chloro-N-[5-chloro-2-(3-methylphenoxy)phenyl]-3-methylpyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-5-chloro-N-[5-chloro-2-(3-methylphenoxy)phenyl]-3-methylpyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-5-chloro-N-[5-chloro-2-(3-methylphenoxy)phenyl]-3-methylpyrazole-4-carboxamide is Cc1cccc(Oc2ccc(Cl)cc2NC(=O)c2c(C)nn(Cc3ccccc3)c2Cl)c1.
What is the InChIKey of 1-benzyl-5-chloro-N-[5-chloro-2-(3-methylphenoxy)phenyl]-3-methylpyrazole-4-carboxamide?
The InChIKey is WNUUCGWESOYCFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21Cl2N3O2/c1-16-7-6-10-20(13-16)32-22-12-11-19(26)14-21(22)28-25(31)23-17(2)29-30(24(23)27)15-18-8-4-3-5-9-18/h3-14H,15H2,1-2H3,(H,28,31).
What are the key properties of 1-benzyl-5-chloro-N-[5-chloro-2-(3-methylphenoxy)phenyl]-3-methylpyrazole-4-carboxamide?
1-benzyl-5-chloro-N-[5-chloro-2-(3-methylphenoxy)phenyl]-3-methylpyrazole-4-carboxamide has a molecular weight of 466.37 g/mol, XLogP of 6.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-chloro-N-[5-chloro-2-(3-methylphenoxy)phenyl]-3-methylpyrazole-4-carboxamide is sourced from PubChem (CID 4965546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).