1-[(4-fluorophenoxy)methyl]-N-hexylpyrazole-3-carboxamide

C17H22FN3O2 — CID 19269231

IUPAC1-[(4-fluorophenoxy)methyl]-N-hexylpyrazole-3-carboxamide
SMILESCCCCCCNC(=O)c1ccn(COc2ccc(F)cc2)n1
InChIInChI=1S/C17H22FN3O2/c1-2-3-4-5-11-19-17(22)16-10-12-21(20-16)13-23-15-8-6-14(18)7-9-15/h6-10,12H,2-5,11,13H2,1H3,(H,19,22)
InChIKeyHEHVREJGRDVGQY-UHFFFAOYSA-N
MW319.38 g/mol
LogP3.37
Rot. Bonds9

About 1-[(4-fluorophenoxy)methyl]-N-hexylpyrazole-3-carboxamide

1-[(4-fluorophenoxy)methyl]-N-hexylpyrazole-3-carboxamide (PubChem CID 19269231) has the molecular formula C17H22FN3O2 and a molecular weight of 319.38 g/mol. Its IUPAC name is 1-[(4-fluorophenoxy)methyl]-N-hexylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[(4-fluorophenoxy)methyl]-N-hexylpyrazole-3-carboxamide
PubChem CID19269231
Molecular FormulaC17H22FN3O2
Molecular Weight319.38 g/mol
Exact Mass319.17
IUPAC Name1-[(4-fluorophenoxy)methyl]-N-hexylpyrazole-3-carboxamide
SMILESCCCCCCNC(=O)c1ccn(COc2ccc(F)cc2)n1
InChIInChI=1S/C17H22FN3O2/c1-2-3-4-5-11-19-17(22)16-10-12-21(20-16)13-23-15-8-6-14(18)7-9-15/h6-10,12H,2-5,11,13H2,1H3,(H,19,22)
InChIKeyHEHVREJGRDVGQY-UHFFFAOYSA-N
XLogP3.37
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-ethoxypropyl)-1-[(4-fluorophenoxy)methyl]pyrazole-3-carboxamide
CID 19269479
N-hexyl-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carboxamide
CID 19275835
4-[[1-[(4-fluorophenoxy)methyl]pyrazole-3-carbonyl]amino]butanoyl chloride
CID 19269295
1-[(2-chlorophenoxy)methyl]-N-octadecylpyrazole-3-carboxamide
CID 19265104
1-[(4-propan-2-ylphenoxy)methyl]-N-propylpyrazole-3-carboxamide
CID 19275922
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(4-fluorophenoxy)methyl]pyrazole-3-carboxamide
CID 19269254
N-hexyl-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide
CID 17023112
N-(4-ethylphenyl)-1-[(4-fluorophenoxy)methyl]pyrazole-3-carboxamide
CID 19269256
N-[2-(diethylamino)ethyl]-1-[(4-methoxyphenoxy)methyl]pyrazole-3-carboxamide
CID 19273294
1-[(4-bromophenoxy)methyl]-N-ethylpyrazole-3-carboxamide
CID 19272514
1-[(4-fluorophenoxy)methyl]-N-(furan-2-ylmethyl)pyrazole-3-carboxamide
CID 19269316
1-[(4-tert-butylphenoxy)methyl]-N-(3-ethoxypropyl)pyrazole-3-carboxamide
CID 19273902

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenoxy)methyl]-N-hexylpyrazole-3-carboxamide?
The IUPAC name of 1-[(4-fluorophenoxy)methyl]-N-hexylpyrazole-3-carboxamide (CID 19269231) is 1-[(4-fluorophenoxy)methyl]-N-hexylpyrazole-3-carboxamide.
What is the SMILES notation for 1-[(4-fluorophenoxy)methyl]-N-hexylpyrazole-3-carboxamide?
The canonical SMILES for 1-[(4-fluorophenoxy)methyl]-N-hexylpyrazole-3-carboxamide is CCCCCCNC(=O)c1ccn(COc2ccc(F)cc2)n1.
What is the InChIKey of 1-[(4-fluorophenoxy)methyl]-N-hexylpyrazole-3-carboxamide?
The InChIKey is HEHVREJGRDVGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O2/c1-2-3-4-5-11-19-17(22)16-10-12-21(20-16)13-23-15-8-6-14(18)7-9-15/h6-10,12H,2-5,11,13H2,1H3,(H,19,22).
What are the key properties of 1-[(4-fluorophenoxy)methyl]-N-hexylpyrazole-3-carboxamide?
1-[(4-fluorophenoxy)methyl]-N-hexylpyrazole-3-carboxamide has a molecular weight of 319.38 g/mol, XLogP of 3.37, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenoxy)methyl]-N-hexylpyrazole-3-carboxamide is sourced from PubChem (CID 19269231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).