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

C21H23N3O — CID 71824428

IUPAC5-(4-ethylphenyl)-N-[(4-ethylphenyl)methyl]-1H-pyrazole-4-carboxamide
SMILESCCc1ccc(CNC(=O)c2cn[nH]c2-c2ccc(CC)cc2)cc1
InChIInChI=1S/C21H23N3O/c1-3-15-5-7-17(8-6-15)13-22-21(25)19-14-23-24-20(19)18-11-9-16(4-2)10-12-18/h5-12,14H,3-4,13H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyBZSIAEMAWXIFGZ-UHFFFAOYSA-N
MW333.44 g/mol
LogP4.13
Rot. Bonds6

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

5-(4-ethylphenyl)-N-[(4-ethylphenyl)methyl]-1H-pyrazole-4-carboxamide (PubChem CID 71824428) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is 5-(4-ethylphenyl)-N-[(4-ethylphenyl)methyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-ethylphenyl)-N-[(4-ethylphenyl)methyl]-1H-pyrazole-4-carboxamide
PubChem CID71824428
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name5-(4-ethylphenyl)-N-[(4-ethylphenyl)methyl]-1H-pyrazole-4-carboxamide
SMILESCCc1ccc(CNC(=O)c2cn[nH]c2-c2ccc(CC)cc2)cc1
InChIInChI=1S/C21H23N3O/c1-3-15-5-7-17(8-6-15)13-22-21(25)19-14-23-24-20(19)18-11-9-16(4-2)10-12-18/h5-12,14H,3-4,13H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyBZSIAEMAWXIFGZ-UHFFFAOYSA-N
XLogP4.13
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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-ethoxyphenyl)methyl]-5-(4-ethylphenyl)-1H-pyrazole-4-carboxamide
CID 71824423
N-[(4-fluorophenyl)methyl]-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide
CID 71824635
N-benzyl-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide
CID 71824647
5-(4-chlorophenyl)-N-(4-ethylphenyl)-1H-pyrazole-4-carboxamide
CID 20950773
N-[(3-chloro-4-fluorophenyl)methyl]-5-(4-chlorophenyl)-1H-pyrazole-4-carboxamide
CID 71824661
5-(4-methylphenyl)-N-[(2-methylphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 71824609
N-benzyl-5-(3-methylphenyl)-1H-pyrazole-4-carboxamide
CID 53490368
methyl 2-methoxy-5-[[(5-phenyl-1H-pyrazole-4-carbonyl)amino]methyl]benzoate
CID 17415360
N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 24682859
5-(4-ethylphenyl)-N-(4-phenylbutan-2-yl)-1H-pyrazole-4-carboxamide
CID 71824394

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylphenyl)-N-[(4-ethylphenyl)methyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(4-ethylphenyl)-N-[(4-ethylphenyl)methyl]-1H-pyrazole-4-carboxamide (CID 71824428) is 5-(4-ethylphenyl)-N-[(4-ethylphenyl)methyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(4-ethylphenyl)-N-[(4-ethylphenyl)methyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(4-ethylphenyl)-N-[(4-ethylphenyl)methyl]-1H-pyrazole-4-carboxamide is CCc1ccc(CNC(=O)c2cn[nH]c2-c2ccc(CC)cc2)cc1.
What is the InChIKey of 5-(4-ethylphenyl)-N-[(4-ethylphenyl)methyl]-1H-pyrazole-4-carboxamide?
The InChIKey is BZSIAEMAWXIFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-3-15-5-7-17(8-6-15)13-22-21(25)19-14-23-24-20(19)18-11-9-16(4-2)10-12-18/h5-12,14H,3-4,13H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of 5-(4-ethylphenyl)-N-[(4-ethylphenyl)methyl]-1H-pyrazole-4-carboxamide?
5-(4-ethylphenyl)-N-[(4-ethylphenyl)methyl]-1H-pyrazole-4-carboxamide has a molecular weight of 333.44 g/mol, XLogP of 4.13, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylphenyl)-N-[(4-ethylphenyl)methyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 71824428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).