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

C19H18FN3O — CID 53490374

IUPAC5-(4-ethylphenyl)-N-[(4-fluorophenyl)methyl]-1H-pyrazole-4-carboxamide
SMILESCCc1ccc(-c2[nH]ncc2C(=O)NCc2ccc(F)cc2)cc1
InChIInChI=1S/C19H18FN3O/c1-2-13-3-7-15(8-4-13)18-17(12-22-23-18)19(24)21-11-14-5-9-16(20)10-6-14/h3-10,12H,2,11H2,1H3,(H,21,24)(H,22,23)
InChIKeyCPUGGDGWLAXUDR-UHFFFAOYSA-N
MW323.37 g/mol
LogP3.71
Rot. Bonds5

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

5-(4-ethylphenyl)-N-[(4-fluorophenyl)methyl]-1H-pyrazole-4-carboxamide (PubChem CID 53490374) has the molecular formula C19H18FN3O and a molecular weight of 323.37 g/mol. Its IUPAC name is 5-(4-ethylphenyl)-N-[(4-fluorophenyl)methyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-ethylphenyl)-N-[(4-fluorophenyl)methyl]-1H-pyrazole-4-carboxamide
PubChem CID53490374
Molecular FormulaC19H18FN3O
Molecular Weight323.37 g/mol
Exact Mass323.14
IUPAC Name5-(4-ethylphenyl)-N-[(4-fluorophenyl)methyl]-1H-pyrazole-4-carboxamide
SMILESCCc1ccc(-c2[nH]ncc2C(=O)NCc2ccc(F)cc2)cc1
InChIInChI=1S/C19H18FN3O/c1-2-13-3-7-15(8-4-13)18-17(12-22-23-18)19(24)21-11-14-5-9-16(20)10-6-14/h3-10,12H,2,11H2,1H3,(H,21,24)(H,22,23)
InChIKeyCPUGGDGWLAXUDR-UHFFFAOYSA-N
XLogP3.71
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-ethylphenyl)-N-[(4-ethylphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 71824428
N-[(4-fluorophenyl)methyl]-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide
CID 71824635
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-(cyclopropanecarbonylamino)phenyl]methyl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 24682859
N-benzyl-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide
CID 71824647
N-[(3-chloro-4-fluorophenyl)methyl]-5-(4-chlorophenyl)-1H-pyrazole-4-carboxamide
CID 71824661
N-butan-2-yl-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 24638552
5-(4-chlorophenyl)-N-(4-ethylphenyl)-1H-pyrazole-4-carboxamide
CID 20950773
5-(4-fluorophenyl)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-1H-pyrazole-4-carboxamide
CID 16599700
3-fluoro-N-[[4-[4-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]phenyl]methyl]benzamide
CID 92568482
5-(4-fluorophenyl)-N-(2-hydroxy-3-phenylpropyl)-1H-pyrazole-4-carboxamide
CID 111102820

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylphenyl)-N-[(4-fluorophenyl)methyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(4-ethylphenyl)-N-[(4-fluorophenyl)methyl]-1H-pyrazole-4-carboxamide (CID 53490374) is 5-(4-ethylphenyl)-N-[(4-fluorophenyl)methyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(4-ethylphenyl)-N-[(4-fluorophenyl)methyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(4-ethylphenyl)-N-[(4-fluorophenyl)methyl]-1H-pyrazole-4-carboxamide is CCc1ccc(-c2[nH]ncc2C(=O)NCc2ccc(F)cc2)cc1.
What is the InChIKey of 5-(4-ethylphenyl)-N-[(4-fluorophenyl)methyl]-1H-pyrazole-4-carboxamide?
The InChIKey is CPUGGDGWLAXUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O/c1-2-13-3-7-15(8-4-13)18-17(12-22-23-18)19(24)21-11-14-5-9-16(20)10-6-14/h3-10,12H,2,11H2,1H3,(H,21,24)(H,22,23).
What are the key properties of 5-(4-ethylphenyl)-N-[(4-fluorophenyl)methyl]-1H-pyrazole-4-carboxamide?
5-(4-ethylphenyl)-N-[(4-fluorophenyl)methyl]-1H-pyrazole-4-carboxamide has a molecular weight of 323.37 g/mol, XLogP of 3.71, 5 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-fluorophenyl)methyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 53490374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).