5-[(4-methoxyphenyl)methyl]-N-(4-phenoxyphenyl)-1H-pyrazole-3-carboxamide

C24H21N3O3 — CID 154693127

IUPAC5-[(4-methoxyphenyl)methyl]-N-(4-phenoxyphenyl)-1H-pyrazole-3-carboxamide
SMILESCOc1ccc(Cc2cc(C(=O)Nc3ccc(Oc4ccccc4)cc3)n[nH]2)cc1
InChIInChI=1S/C24H21N3O3/c1-29-20-11-7-17(8-12-20)15-19-16-23(27-26-19)24(28)25-18-9-13-22(14-10-18)30-21-5-3-2-4-6-21/h2-14,16H,15H2,1H3,(H,25,28)(H,26,27)
InChIKeyXLRYJZHBJSWUAG-UHFFFAOYSA-N
MW399.45 g/mol
LogP5.05
Rot. Bonds7

About 5-[(4-methoxyphenyl)methyl]-N-(4-phenoxyphenyl)-1H-pyrazole-3-carboxamide

5-[(4-methoxyphenyl)methyl]-N-(4-phenoxyphenyl)-1H-pyrazole-3-carboxamide (PubChem CID 154693127) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is 5-[(4-methoxyphenyl)methyl]-N-(4-phenoxyphenyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[(4-methoxyphenyl)methyl]-N-(4-phenoxyphenyl)-1H-pyrazole-3-carboxamide
PubChem CID154693127
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC Name5-[(4-methoxyphenyl)methyl]-N-(4-phenoxyphenyl)-1H-pyrazole-3-carboxamide
SMILESCOc1ccc(Cc2cc(C(=O)Nc3ccc(Oc4ccccc4)cc3)n[nH]2)cc1
InChIInChI=1S/C24H21N3O3/c1-29-20-11-7-17(8-12-20)15-19-16-23(27-26-19)24(28)25-18-9-13-22(14-10-18)30-21-5-3-2-4-6-21/h2-14,16H,15H2,1H3,(H,25,28)(H,26,27)
InChIKeyXLRYJZHBJSWUAG-UHFFFAOYSA-N
XLogP5.05
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.45
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-methoxyphenyl)methyl]-N-phenyl-1H-pyrazole-3-carboxamide
CID 154693152
N,5-bis[(4-methoxyphenyl)methyl]-1H-pyrazole-3-carboxamide
CID 155753629
N-(4-methoxyphenyl)-N'-(4-phenoxyphenyl)oxamide
CID 44995857
2-(4-methoxyphenoxy)-N-(4-phenoxyphenyl)acetamide
CID 833180
2-(benzylamino)-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109327159
3-(2-chlorophenyl)-N-(4-phenoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46920056
N-(2-phenoxyphenyl)-5-propyl-1H-pyrazole-3-carboxamide
CID 37140229
5-cyclopropyl-N-[4-(3-methylphenoxy)phenyl]-1H-pyrazole-3-carboxamide
CID 46582218
N-(4-methoxyphenyl)pyridine-2-carboxamide
CID 821516
2-[(4-methoxyphenyl)methylamino]-N-phenylpyrimidine-4-carboxamide
CID 109306366
6-N-(3-methoxyphenyl)-2-N-phenylpyridine-2,6-dicarboxamide
CID 109099989
N-(5-chloro-2-phenoxyphenyl)-2-[(4-methoxyphenyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 136705667

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxyphenyl)methyl]-N-(4-phenoxyphenyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-[(4-methoxyphenyl)methyl]-N-(4-phenoxyphenyl)-1H-pyrazole-3-carboxamide (CID 154693127) is 5-[(4-methoxyphenyl)methyl]-N-(4-phenoxyphenyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-[(4-methoxyphenyl)methyl]-N-(4-phenoxyphenyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-[(4-methoxyphenyl)methyl]-N-(4-phenoxyphenyl)-1H-pyrazole-3-carboxamide is COc1ccc(Cc2cc(C(=O)Nc3ccc(Oc4ccccc4)cc3)n[nH]2)cc1.
What is the InChIKey of 5-[(4-methoxyphenyl)methyl]-N-(4-phenoxyphenyl)-1H-pyrazole-3-carboxamide?
The InChIKey is XLRYJZHBJSWUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3/c1-29-20-11-7-17(8-12-20)15-19-16-23(27-26-19)24(28)25-18-9-13-22(14-10-18)30-21-5-3-2-4-6-21/h2-14,16H,15H2,1H3,(H,25,28)(H,26,27).
What are the key properties of 5-[(4-methoxyphenyl)methyl]-N-(4-phenoxyphenyl)-1H-pyrazole-3-carboxamide?
5-[(4-methoxyphenyl)methyl]-N-(4-phenoxyphenyl)-1H-pyrazole-3-carboxamide has a molecular weight of 399.45 g/mol, XLogP of 5.05, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methoxyphenyl)methyl]-N-(4-phenoxyphenyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 154693127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).