1-(4-fluorophenyl)-N-(3-methoxypropyl)-4-propoxypyrazole-3-carboxamide

C17H22FN3O3 — CID 42109760

IUPAC1-(4-fluorophenyl)-N-(3-methoxypropyl)-4-propoxypyrazole-3-carboxamide
SMILESCCCOc1cn(-c2ccc(F)cc2)nc1C(=O)NCCCOC
InChIInChI=1S/C17H22FN3O3/c1-3-10-24-15-12-21(14-7-5-13(18)6-8-14)20-16(15)17(22)19-9-4-11-23-2/h5-8,12H,3-4,9-11H2,1-2H3,(H,19,22)
InChIKeyWRSOVWALXYFEBC-UHFFFAOYSA-N
MW335.38 g/mol
LogP2.57
Rot. Bonds9

About 1-(4-fluorophenyl)-N-(3-methoxypropyl)-4-propoxypyrazole-3-carboxamide

1-(4-fluorophenyl)-N-(3-methoxypropyl)-4-propoxypyrazole-3-carboxamide (PubChem CID 42109760) has the molecular formula C17H22FN3O3 and a molecular weight of 335.38 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-(3-methoxypropyl)-4-propoxypyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-(3-methoxypropyl)-4-propoxypyrazole-3-carboxamide
PubChem CID42109760
Molecular FormulaC17H22FN3O3
Molecular Weight335.38 g/mol
Exact Mass335.16
IUPAC Name1-(4-fluorophenyl)-N-(3-methoxypropyl)-4-propoxypyrazole-3-carboxamide
SMILESCCCOc1cn(-c2ccc(F)cc2)nc1C(=O)NCCCOC
InChIInChI=1S/C17H22FN3O3/c1-3-10-24-15-12-21(14-7-5-13(18)6-8-14)20-16(15)17(22)19-9-4-11-23-2/h5-8,12H,3-4,9-11H2,1-2H3,(H,19,22)
InChIKeyWRSOVWALXYFEBC-UHFFFAOYSA-N
XLogP2.57
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-(3-methoxypropyl)-4-propoxypyrazole-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-(3-methoxypropyl)-4-propoxypyrazole-3-carboxamide (CID 42109760) is 1-(4-fluorophenyl)-N-(3-methoxypropyl)-4-propoxypyrazole-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-(3-methoxypropyl)-4-propoxypyrazole-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-(3-methoxypropyl)-4-propoxypyrazole-3-carboxamide is CCCOc1cn(-c2ccc(F)cc2)nc1C(=O)NCCCOC.
What is the InChIKey of 1-(4-fluorophenyl)-N-(3-methoxypropyl)-4-propoxypyrazole-3-carboxamide?
The InChIKey is WRSOVWALXYFEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O3/c1-3-10-24-15-12-21(14-7-5-13(18)6-8-14)20-16(15)17(22)19-9-4-11-23-2/h5-8,12H,3-4,9-11H2,1-2H3,(H,19,22).
What are the key properties of 1-(4-fluorophenyl)-N-(3-methoxypropyl)-4-propoxypyrazole-3-carboxamide?
1-(4-fluorophenyl)-N-(3-methoxypropyl)-4-propoxypyrazole-3-carboxamide has a molecular weight of 335.38 g/mol, XLogP of 2.57, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-(3-methoxypropyl)-4-propoxypyrazole-3-carboxamide is sourced from PubChem (CID 42109760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).