N-benzyl-1-(4-methoxyphenyl)-5-methylpyrazole-3-carboxamide

C19H19N3O2 — CID 110373063

IUPACN-benzyl-1-(4-methoxyphenyl)-5-methylpyrazole-3-carboxamide
SMILESCOc1ccc(-n2nc(C(=O)NCc3ccccc3)cc2C)cc1
InChIInChI=1S/C19H19N3O2/c1-14-12-18(19(23)20-13-15-6-4-3-5-7-15)21-22(14)16-8-10-17(24-2)11-9-16/h3-12H,13H2,1-2H3,(H,20,23)
InChIKeyTXBDQDRBJFHXFJ-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.12
Rot. Bonds5

About N-benzyl-1-(4-methoxyphenyl)-5-methylpyrazole-3-carboxamide

N-benzyl-1-(4-methoxyphenyl)-5-methylpyrazole-3-carboxamide (PubChem CID 110373063) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-benzyl-1-(4-methoxyphenyl)-5-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-(4-methoxyphenyl)-5-methylpyrazole-3-carboxamide
PubChem CID110373063
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC NameN-benzyl-1-(4-methoxyphenyl)-5-methylpyrazole-3-carboxamide
SMILESCOc1ccc(-n2nc(C(=O)NCc3ccccc3)cc2C)cc1
InChIInChI=1S/C19H19N3O2/c1-14-12-18(19(23)20-13-15-6-4-3-5-7-15)21-22(14)16-8-10-17(24-2)11-9-16/h3-12H,13H2,1-2H3,(H,20,23)
InChIKeyTXBDQDRBJFHXFJ-UHFFFAOYSA-N
XLogP3.12
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-methoxyphenoxy)ethyl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 110372766
1-(3-methoxyphenyl)-5-methyl-N-[(3-methylphenyl)methyl]pyrazole-3-carboxamide
CID 110373177
1-(4-methoxyphenyl)-5-methyl-N-pentylpyrazole-3-carboxamide
CID 110373105
N-[(4-methoxyphenyl)methyl]-1-phenyl-5-pyridin-4-ylpyrazole-3-carboxamide
CID 53002283
N-[3-(dimethylamino)propyl]-1-(4-methoxyphenyl)-5-methylpyrazole-3-carboxamide
CID 110373057
5-methyl-N-[(4-methylsulfonylphenyl)methyl]-1-phenylpyrazole-3-carboxamide
CID 60511850
N-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1-(4-methylphenyl)pyrazole-3-carboxamide
CID 110372802
5-methyl-1-(4-methylphenyl)-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide
CID 110372798
N-(2-fluorophenyl)-1-(4-methoxyphenyl)-5-methylpyrazole-3-carboxamide
CID 110373118
N-[(3,4-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)-5-methylpyrazole-3-carboxamide
CID 110372894
4-[[[1-(4-methoxyphenyl)-5-methylpyrazole-3-carbonyl]amino]methyl]oxane-4-carboxylic acid
CID 120542009
1-(4-fluorophenyl)-5-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide
CID 110372883

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(4-methoxyphenyl)-5-methylpyrazole-3-carboxamide?
The IUPAC name of N-benzyl-1-(4-methoxyphenyl)-5-methylpyrazole-3-carboxamide (CID 110373063) is N-benzyl-1-(4-methoxyphenyl)-5-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-benzyl-1-(4-methoxyphenyl)-5-methylpyrazole-3-carboxamide?
The canonical SMILES for N-benzyl-1-(4-methoxyphenyl)-5-methylpyrazole-3-carboxamide is COc1ccc(-n2nc(C(=O)NCc3ccccc3)cc2C)cc1.
What is the InChIKey of N-benzyl-1-(4-methoxyphenyl)-5-methylpyrazole-3-carboxamide?
The InChIKey is TXBDQDRBJFHXFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-14-12-18(19(23)20-13-15-6-4-3-5-7-15)21-22(14)16-8-10-17(24-2)11-9-16/h3-12H,13H2,1-2H3,(H,20,23).
What are the key properties of N-benzyl-1-(4-methoxyphenyl)-5-methylpyrazole-3-carboxamide?
N-benzyl-1-(4-methoxyphenyl)-5-methylpyrazole-3-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(4-methoxyphenyl)-5-methylpyrazole-3-carboxamide is sourced from PubChem (CID 110373063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).