3-(2-fluorophenyl)-N-pentyl-1-phenylpyrazole-5-carboxamide

C21H22FN3O — CID 4218340

IUPAC3-(2-fluorophenyl)-N-pentyl-1-phenylpyrazole-5-carboxamide
SMILESCCCCCNC(=O)c1cc(-c2ccccc2F)nn1-c1ccccc1
InChIInChI=1S/C21H22FN3O/c1-2-3-9-14-23-21(26)20-15-19(17-12-7-8-13-18(17)22)24-25(20)16-10-5-4-6-11-16/h4-8,10-13,15H,2-3,9,14H2,1H3,(H,23,26)
InChIKeyCEIYEMNZXHMFSB-UHFFFAOYSA-N
MW351.43 g/mol
LogP4.60
Rot. Bonds7

About 3-(2-fluorophenyl)-N-pentyl-1-phenylpyrazole-5-carboxamide

3-(2-fluorophenyl)-N-pentyl-1-phenylpyrazole-5-carboxamide (PubChem CID 4218340) has the molecular formula C21H22FN3O and a molecular weight of 351.43 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-pentyl-1-phenylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N-pentyl-1-phenylpyrazole-5-carboxamide
PubChem CID4218340
Molecular FormulaC21H22FN3O
Molecular Weight351.43 g/mol
Exact Mass351.17
IUPAC Name3-(2-fluorophenyl)-N-pentyl-1-phenylpyrazole-5-carboxamide
SMILESCCCCCNC(=O)c1cc(-c2ccccc2F)nn1-c1ccccc1
InChIInChI=1S/C21H22FN3O/c1-2-3-9-14-23-21(26)20-15-19(17-12-7-8-13-18(17)22)24-25(20)16-10-5-4-6-11-16/h4-8,10-13,15H,2-3,9,14H2,1H3,(H,23,26)
InChIKeyCEIYEMNZXHMFSB-UHFFFAOYSA-N
XLogP4.60
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-3-(2-fluorophenyl)-1-(3-methylphenyl)pyrazole-5-carboxamide
CID 3928808
N-butyl-3-(2-fluorophenyl)-1-(4-nitrophenyl)pyrazole-5-carboxamide
CID 3372471
3-(3,4-dimethylphenyl)-N-pentyl-1-phenylpyrazole-5-carboxamide
CID 4274555
1-(4-methylphenyl)-N-pentyl-3-phenylpyrazole-5-carboxamide
CID 42754567
3-(5-methylfuran-2-yl)-N-pentyl-1-phenylpyrazole-5-carboxamide
CID 42759443
N-butyl-3-(3,4-dimethylphenyl)-1-phenylpyrazole-5-carboxamide
CID 4005043
3-(2-fluorophenyl)-1-phenyl-N-(pyridin-2-ylmethyl)pyrazole-5-carboxamide
CID 42754740
3-(2,4-dimethoxyphenyl)-1-(4-fluorophenyl)-N-pentylpyrazole-5-carboxamide
CID 4679519
N-butan-2-yl-1-(3-chlorophenyl)-3-(2-fluorophenyl)pyrazole-5-carboxamide
CID 42754822
3-(2-fluorophenyl)-N-(3-methylbutyl)-1-(4-nitrophenyl)pyrazole-5-carboxamide
CID 42759122
3-(3,4-dimethylphenyl)-1-phenyl-N-propylpyrazole-5-carboxamide
CID 42754882
(4-ethylpiperazin-1-yl)-[3-(2-fluorophenyl)-1-phenylpyrazol-5-yl]methanone
CID 3945293

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-N-pentyl-1-phenylpyrazole-5-carboxamide?
The IUPAC name of 3-(2-fluorophenyl)-N-pentyl-1-phenylpyrazole-5-carboxamide (CID 4218340) is 3-(2-fluorophenyl)-N-pentyl-1-phenylpyrazole-5-carboxamide.
What is the SMILES notation for 3-(2-fluorophenyl)-N-pentyl-1-phenylpyrazole-5-carboxamide?
The canonical SMILES for 3-(2-fluorophenyl)-N-pentyl-1-phenylpyrazole-5-carboxamide is CCCCCNC(=O)c1cc(-c2ccccc2F)nn1-c1ccccc1.
What is the InChIKey of 3-(2-fluorophenyl)-N-pentyl-1-phenylpyrazole-5-carboxamide?
The InChIKey is CEIYEMNZXHMFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O/c1-2-3-9-14-23-21(26)20-15-19(17-12-7-8-13-18(17)22)24-25(20)16-10-5-4-6-11-16/h4-8,10-13,15H,2-3,9,14H2,1H3,(H,23,26).
What are the key properties of 3-(2-fluorophenyl)-N-pentyl-1-phenylpyrazole-5-carboxamide?
3-(2-fluorophenyl)-N-pentyl-1-phenylpyrazole-5-carboxamide has a molecular weight of 351.43 g/mol, XLogP of 4.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-N-pentyl-1-phenylpyrazole-5-carboxamide is sourced from PubChem (CID 4218340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).