N-(2-benzoyl-4-chlorophenyl)-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide

C25H20ClN3O3 — CID 19277363

IUPACN-(2-benzoyl-4-chlorophenyl)-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide
SMILESCc1ccccc1OCn1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)n1
InChIInChI=1S/C25H20ClN3O3/c1-17-7-5-6-10-23(17)32-16-29-14-13-22(28-29)25(31)27-21-12-11-19(26)15-20(21)24(30)18-8-3-2-4-9-18/h2-15H,16H2,1H3,(H,27,31)
InChIKeyWBKJPOWFQCBXEB-UHFFFAOYSA-N
MW445.91 g/mol
LogP5.36
Rot. Bonds7

About N-(2-benzoyl-4-chlorophenyl)-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide

N-(2-benzoyl-4-chlorophenyl)-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide (PubChem CID 19277363) has the molecular formula C25H20ClN3O3 and a molecular weight of 445.91 g/mol. Its IUPAC name is N-(2-benzoyl-4-chlorophenyl)-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-benzoyl-4-chlorophenyl)-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide
PubChem CID19277363
Molecular FormulaC25H20ClN3O3
Molecular Weight445.91 g/mol
Exact Mass445.12
IUPAC NameN-(2-benzoyl-4-chlorophenyl)-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide
SMILESCc1ccccc1OCn1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)n1
InChIInChI=1S/C25H20ClN3O3/c1-17-7-5-6-10-23(17)32-16-29-14-13-22(28-29)25(31)27-21-12-11-19(26)15-20(21)24(30)18-8-3-2-4-9-18/h2-15H,16H2,1H3,(H,27,31)
InChIKeyWBKJPOWFQCBXEB-UHFFFAOYSA-N
XLogP5.36
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.91
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-cyanophenyl)-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide
CID 19277503
N-(2-benzoyl-4-chlorophenyl)-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
CID 19454982
N-(5-chloro-2-hydroxyphenyl)-1-[(4-chloro-2-methylphenoxy)methyl]pyrazole-3-carboxamide
CID 19277666
N-(5-chloro-2-methylphenyl)-1-[(2,3-dichlorophenoxy)methyl]pyrazole-3-carboxamide
CID 19269515
N-(4-acetamidophenyl)-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide
CID 19277353
N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide
CID 19277534
N-(5-chloro-2-methylphenyl)-1-[(2,4-dichlorophenoxy)methyl]pyrazole-3-carboxamide
CID 19270117
1-[(2-chlorophenoxy)methyl]-N-(2,3-dimethylphenyl)pyrazole-3-carboxamide
CID 17022012
1-[(4-chloro-2-methylphenoxy)methyl]-N-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide
CID 19277689
1-[(2-methylphenoxy)methyl]-N-(1-methylpyrazol-3-yl)pyrazole-3-carboxamide
CID 19277551
N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide
CID 19277524
N-(2,3-dimethylphenyl)-1-[(2-fluorophenoxy)methyl]pyrazole-3-carboxamide
CID 4865750

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-4-chlorophenyl)-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide?
The IUPAC name of N-(2-benzoyl-4-chlorophenyl)-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide (CID 19277363) is N-(2-benzoyl-4-chlorophenyl)-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for N-(2-benzoyl-4-chlorophenyl)-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide?
The canonical SMILES for N-(2-benzoyl-4-chlorophenyl)-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide is Cc1ccccc1OCn1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)n1.
What is the InChIKey of N-(2-benzoyl-4-chlorophenyl)-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide?
The InChIKey is WBKJPOWFQCBXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClN3O3/c1-17-7-5-6-10-23(17)32-16-29-14-13-22(28-29)25(31)27-21-12-11-19(26)15-20(21)24(30)18-8-3-2-4-9-18/h2-15H,16H2,1H3,(H,27,31).
What are the key properties of N-(2-benzoyl-4-chlorophenyl)-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide?
N-(2-benzoyl-4-chlorophenyl)-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide has a molecular weight of 445.91 g/mol, XLogP of 5.36, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-4-chlorophenyl)-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 19277363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).