1-(4-fluorophenyl)-4-(2-methoxyethoxy)pyrazole-3-carboxamide

C13H14FN3O3 — CID 66610665

IUPAC1-(4-fluorophenyl)-4-(2-methoxyethoxy)pyrazole-3-carboxamide
SMILESCOCCOc1cn(-c2ccc(F)cc2)nc1C(N)=O
InChIInChI=1S/C13H14FN3O3/c1-19-6-7-20-11-8-17(16-12(11)13(15)18)10-4-2-9(14)3-5-10/h2-5,8H,6-7H2,1H3,(H2,15,18)
InChIKeyIVZLBDBOPSSMQC-UHFFFAOYSA-N
MW279.27 g/mol
LogP1.14
Rot. Bonds6

About 1-(4-fluorophenyl)-4-(2-methoxyethoxy)pyrazole-3-carboxamide

1-(4-fluorophenyl)-4-(2-methoxyethoxy)pyrazole-3-carboxamide (PubChem CID 66610665) has the molecular formula C13H14FN3O3 and a molecular weight of 279.27 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-(2-methoxyethoxy)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-(2-methoxyethoxy)pyrazole-3-carboxamide
PubChem CID66610665
Molecular FormulaC13H14FN3O3
Molecular Weight279.27 g/mol
Exact Mass279.10
IUPAC Name1-(4-fluorophenyl)-4-(2-methoxyethoxy)pyrazole-3-carboxamide
SMILESCOCCOc1cn(-c2ccc(F)cc2)nc1C(N)=O
InChIInChI=1S/C13H14FN3O3/c1-19-6-7-20-11-8-17(16-12(11)13(15)18)10-4-2-9(14)3-5-10/h2-5,8H,6-7H2,1H3,(H2,15,18)
InChIKeyIVZLBDBOPSSMQC-UHFFFAOYSA-N
XLogP1.14
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.27
LogP ≤ 51.14
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

1-(4-fluorophenyl)-N-(2-methoxyethyl)-4-propoxypyrazole-3-carboxamide
CID 42109759
4-[3-(dimethylamino)propoxy]-1-(4-fluorophenyl)pyrazole-3-carbonyl chloride
CID 87073658
N-[2-(dimethylamino)ethyl]-1-(4-fluorophenyl)-4-propoxypyrazole-3-carboxamide
CID 42109762
4-(4-methoxybutoxy)-1-phenylpyrazole-3-carboxylic acid
CID 104646795
4-ethoxy-1-(4-fluorophenyl)-N-[2-(4-fluorophenyl)ethyl]pyrazole-3-carboxamide
CID 42109745
methyl 4-[[4-ethoxy-1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]benzoate
CID 42109731
N-cyclopentyl-4-ethoxy-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 45283984
N-[2-(dimethylamino)ethyl]-4-ethoxy-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 42109714
1-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-4-propoxypyrazole-3-carboxamide
CID 42109765
[1-(4-fluorophenyl)-4-propoxypyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 42109754
4-ethoxy-1-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide
CID 30851412
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)-4-(2-methoxyethoxy)pyrazole-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-4-(2-methoxyethoxy)pyrazole-3-carboxamide (CID 66610665) is 1-(4-fluorophenyl)-4-(2-methoxyethoxy)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-4-(2-methoxyethoxy)pyrazole-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-4-(2-methoxyethoxy)pyrazole-3-carboxamide is COCCOc1cn(-c2ccc(F)cc2)nc1C(N)=O.
What is the InChIKey of 1-(4-fluorophenyl)-4-(2-methoxyethoxy)pyrazole-3-carboxamide?
The InChIKey is IVZLBDBOPSSMQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O3/c1-19-6-7-20-11-8-17(16-12(11)13(15)18)10-4-2-9(14)3-5-10/h2-5,8H,6-7H2,1H3,(H2,15,18).
What are the key properties of 1-(4-fluorophenyl)-4-(2-methoxyethoxy)pyrazole-3-carboxamide?
1-(4-fluorophenyl)-4-(2-methoxyethoxy)pyrazole-3-carboxamide has a molecular weight of 279.27 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-(2-methoxyethoxy)pyrazole-3-carboxamide is sourced from PubChem (CID 66610665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).