N-[(4-ethoxyphenyl)methyl]-5-(4-ethylphenyl)-1H-pyrazole-4-carboxamide

C21H23N3O2 — CID 71824423

IUPACN-[(4-ethoxyphenyl)methyl]-5-(4-ethylphenyl)-1H-pyrazole-4-carboxamide
SMILESCCOc1ccc(CNC(=O)c2cn[nH]c2-c2ccc(CC)cc2)cc1
InChIInChI=1S/C21H23N3O2/c1-3-15-5-9-17(10-6-15)20-19(14-23-24-20)21(25)22-13-16-7-11-18(12-8-16)26-4-2/h5-12,14H,3-4,13H2,1-2H3,(H,22,25)(H,23,24)
InChIKeySSOXEKRNOSTYAX-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.97
Rot. Bonds7

About N-[(4-ethoxyphenyl)methyl]-5-(4-ethylphenyl)-1H-pyrazole-4-carboxamide

N-[(4-ethoxyphenyl)methyl]-5-(4-ethylphenyl)-1H-pyrazole-4-carboxamide (PubChem CID 71824423) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)methyl]-5-(4-ethylphenyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)methyl]-5-(4-ethylphenyl)-1H-pyrazole-4-carboxamide
PubChem CID71824423
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC NameN-[(4-ethoxyphenyl)methyl]-5-(4-ethylphenyl)-1H-pyrazole-4-carboxamide
SMILESCCOc1ccc(CNC(=O)c2cn[nH]c2-c2ccc(CC)cc2)cc1
InChIInChI=1S/C21H23N3O2/c1-3-15-5-9-17(10-6-15)20-19(14-23-24-20)21(25)22-13-16-7-11-18(12-8-16)26-4-2/h5-12,14H,3-4,13H2,1-2H3,(H,22,25)(H,23,24)
InChIKeySSOXEKRNOSTYAX-UHFFFAOYSA-N
XLogP3.97
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-ethylphenyl)-N-[(4-ethylphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 71824428
5-(4-ethylphenyl)-N-[(4-fluorophenyl)methyl]-1H-pyrazole-4-carboxamide
CID 53490374
N-[(4-chlorophenyl)methyl]-5-(4-ethylphenyl)-1H-pyrazole-4-carboxamide
CID 71824412
N-[(4-fluorophenyl)methyl]-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide
CID 71824635
5-[(4-ethoxyphenyl)sulfamoyl]-N-[(4-methylphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 171146148
N-benzyl-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide
CID 71824647
5-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 71824377
N-[(3-butoxyphenyl)methyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 55846230
5-(4-butoxyphenyl)-N-[(2-methoxyphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 71824584
N-[(3-methoxyphenyl)methyl]-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide
CID 71824643
N-[(4-ethylphenyl)methyl]-5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide
CID 53115660
5-(4-chlorophenyl)-N-(4-ethylphenyl)-1H-pyrazole-4-carboxamide
CID 20950773

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)methyl]-5-(4-ethylphenyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[(4-ethoxyphenyl)methyl]-5-(4-ethylphenyl)-1H-pyrazole-4-carboxamide (CID 71824423) is N-[(4-ethoxyphenyl)methyl]-5-(4-ethylphenyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[(4-ethoxyphenyl)methyl]-5-(4-ethylphenyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[(4-ethoxyphenyl)methyl]-5-(4-ethylphenyl)-1H-pyrazole-4-carboxamide is CCOc1ccc(CNC(=O)c2cn[nH]c2-c2ccc(CC)cc2)cc1.
What is the InChIKey of N-[(4-ethoxyphenyl)methyl]-5-(4-ethylphenyl)-1H-pyrazole-4-carboxamide?
The InChIKey is SSOXEKRNOSTYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-3-15-5-9-17(10-6-15)20-19(14-23-24-20)21(25)22-13-16-7-11-18(12-8-16)26-4-2/h5-12,14H,3-4,13H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of N-[(4-ethoxyphenyl)methyl]-5-(4-ethylphenyl)-1H-pyrazole-4-carboxamide?
N-[(4-ethoxyphenyl)methyl]-5-(4-ethylphenyl)-1H-pyrazole-4-carboxamide has a molecular weight of 349.43 g/mol, XLogP of 3.97, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)methyl]-5-(4-ethylphenyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 71824423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).