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

C20H20N4O3 — CID 19277353

IUPACN-(4-acetamidophenyl)-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2ccn(COc3ccccc3C)n2)cc1
InChIInChI=1S/C20H20N4O3/c1-14-5-3-4-6-19(14)27-13-24-12-11-18(23-24)20(26)22-17-9-7-16(8-10-17)21-15(2)25/h3-12H,13H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyFWWWINMYQQCGBM-UHFFFAOYSA-N
MW364.41 g/mol
LogP3.44
Rot. Bonds6

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

N-(4-acetamidophenyl)-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide (PubChem CID 19277353) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide
PubChem CID19277353
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC NameN-(4-acetamidophenyl)-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2ccn(COc3ccccc3C)n2)cc1
InChIInChI=1S/C20H20N4O3/c1-14-5-3-4-6-19(14)27-13-24-12-11-18(23-24)20(26)22-17-9-7-16(8-10-17)21-15(2)25/h3-12H,13H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyFWWWINMYQQCGBM-UHFFFAOYSA-N
XLogP3.44
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2-methylphenoxy)methyl]-N-(1-methylpyrazol-3-yl)pyrazole-3-carboxamide
CID 19277551
1-[(2-methylphenoxy)methyl]-N-prop-2-enylpyrazole-3-carboxamide
CID 19277357
N-(3-fluoro-4-methylphenyl)-1-[(2-fluorophenoxy)methyl]pyrazole-3-carboxamide
CID 4865744
N-(2-cyanophenyl)-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide
CID 19277503
1-[(2,3-dichlorophenoxy)methyl]-N-phenylpyrazole-3-carboxamide
CID 19269594
N-(cyclopropylmethyl)-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide
CID 95756236
N-(2,6-dimethylphenyl)-1-[(2-fluorophenoxy)methyl]pyrazole-3-carboxamide
CID 4864754
1-[(2-nitrophenoxy)methyl]-N-(4-nitrophenyl)pyrazole-3-carboxamide
CID 19273936
N-[4-[[1-[(4-chloro-2-methylphenoxy)methyl]pyrazole-3-carbonyl]amino]phenyl]-1-methylpyrazole-3-carboxamide
CID 19277888
N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide
CID 19277534
N-(3,5-dimethylphenyl)-1-[(2-fluorophenoxy)methyl]pyrazole-3-carboxamide
CID 4774451
1-[(2-chlorophenoxy)methyl]-N-(2,3-dimethylphenyl)pyrazole-3-carboxamide
CID 17022012

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide (CID 19277353) is N-(4-acetamidophenyl)-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide is CC(=O)Nc1ccc(NC(=O)c2ccn(COc3ccccc3C)n2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide?
The InChIKey is FWWWINMYQQCGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-14-5-3-4-6-19(14)27-13-24-12-11-18(23-24)20(26)22-17-9-7-16(8-10-17)21-15(2)25/h3-12H,13H2,1-2H3,(H,21,25)(H,22,26).
What are the key properties of N-(4-acetamidophenyl)-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide?
N-(4-acetamidophenyl)-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide has a molecular weight of 364.41 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 19277353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).