1-(4-fluorophenyl)-N-(2-methoxyethyl)-4-propoxypyrazole-3-carboxamide

C16H20FN3O3 — CID 42109759

IUPAC1-(4-fluorophenyl)-N-(2-methoxyethyl)-4-propoxypyrazole-3-carboxamide
SMILESCCCOc1cn(-c2ccc(F)cc2)nc1C(=O)NCCOC
InChIInChI=1S/C16H20FN3O3/c1-3-9-23-14-11-20(13-6-4-12(17)5-7-13)19-15(14)16(21)18-8-10-22-2/h4-7,11H,3,8-10H2,1-2H3,(H,18,21)
InChIKeySUESDOGDBUIJRP-UHFFFAOYSA-N
MW321.35 g/mol
LogP2.18
Rot. Bonds8

About 1-(4-fluorophenyl)-N-(2-methoxyethyl)-4-propoxypyrazole-3-carboxamide

1-(4-fluorophenyl)-N-(2-methoxyethyl)-4-propoxypyrazole-3-carboxamide (PubChem CID 42109759) has the molecular formula C16H20FN3O3 and a molecular weight of 321.35 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-(2-methoxyethyl)-4-propoxypyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-(2-methoxyethyl)-4-propoxypyrazole-3-carboxamide
PubChem CID42109759
Molecular FormulaC16H20FN3O3
Molecular Weight321.35 g/mol
Exact Mass321.15
IUPAC Name1-(4-fluorophenyl)-N-(2-methoxyethyl)-4-propoxypyrazole-3-carboxamide
SMILESCCCOc1cn(-c2ccc(F)cc2)nc1C(=O)NCCOC
InChIInChI=1S/C16H20FN3O3/c1-3-9-23-14-11-20(13-6-4-12(17)5-7-13)19-15(14)16(21)18-8-10-22-2/h4-7,11H,3,8-10H2,1-2H3,(H,18,21)
InChIKeySUESDOGDBUIJRP-UHFFFAOYSA-N
XLogP2.18
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.35
LogP ≤ 52.18
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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Related Compounds

N-[2-(dimethylamino)ethyl]-1-(4-fluorophenyl)-4-propoxypyrazole-3-carboxamide
CID 42109762
1-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-4-propoxypyrazole-3-carboxamide
CID 42109765
1-(4-fluorophenyl)-4-(2-methoxyethoxy)pyrazole-3-carboxamide
CID 66610665
4-ethoxy-1-(4-fluorophenyl)-N-[2-(4-fluorophenyl)ethyl]pyrazole-3-carboxamide
CID 42109745
N-[2-(dimethylamino)ethyl]-4-ethoxy-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 42109714
N-cyclopentyl-4-ethoxy-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 45283984
4-ethoxy-1-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide
CID 30851412
[1-(4-fluorophenyl)-4-propoxypyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 42109754
methyl 4-[[4-ethoxy-1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]benzoate
CID 42109731
N-methylsulfonyl-1-phenyl-4-propoxypyrazole-3-carboxamide
CID 146154385
1-(4-fluorophenyl)-N-(3-methoxypropyl)imidazole-4-carboxamide
CID 100816395
N-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-1-(4-fluorophenyl)-4-propoxypyrazole-3-carboxamide
CID 121061946

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-(2-methoxyethyl)-4-propoxypyrazole-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-(2-methoxyethyl)-4-propoxypyrazole-3-carboxamide (CID 42109759) is 1-(4-fluorophenyl)-N-(2-methoxyethyl)-4-propoxypyrazole-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-(2-methoxyethyl)-4-propoxypyrazole-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-(2-methoxyethyl)-4-propoxypyrazole-3-carboxamide is CCCOc1cn(-c2ccc(F)cc2)nc1C(=O)NCCOC.
What is the InChIKey of 1-(4-fluorophenyl)-N-(2-methoxyethyl)-4-propoxypyrazole-3-carboxamide?
The InChIKey is SUESDOGDBUIJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O3/c1-3-9-23-14-11-20(13-6-4-12(17)5-7-13)19-15(14)16(21)18-8-10-22-2/h4-7,11H,3,8-10H2,1-2H3,(H,18,21).
What are the key properties of 1-(4-fluorophenyl)-N-(2-methoxyethyl)-4-propoxypyrazole-3-carboxamide?
1-(4-fluorophenyl)-N-(2-methoxyethyl)-4-propoxypyrazole-3-carboxamide has a molecular weight of 321.35 g/mol, XLogP of 2.18, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-(2-methoxyethyl)-4-propoxypyrazole-3-carboxamide is sourced from PubChem (CID 42109759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).