4-ethoxy-1-(4-fluorophenyl)-N-(2-methoxyethyl)pyrazole-3-carboxamide

C15H18FN3O3 — CID 42109711

IUPAC4-ethoxy-1-(4-fluorophenyl)-N-(2-methoxyethyl)pyrazole-3-carboxamide
SMILESCCOc1cn(-c2ccc(F)cc2)nc1C(=O)NCCOC
InChIInChI=1S/C15H18FN3O3/c1-3-22-13-10-19(12-6-4-11(16)5-7-12)18-14(13)15(20)17-8-9-21-2/h4-7,10H,3,8-9H2,1-2H3,(H,17,20)
InChIKeyWOOULYWYVQWPKD-UHFFFAOYSA-N
MW307.33 g/mol
LogP1.79
Rot. Bonds7

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

4-ethoxy-1-(4-fluorophenyl)-N-(2-methoxyethyl)pyrazole-3-carboxamide (PubChem CID 42109711) has the molecular formula C15H18FN3O3 and a molecular weight of 307.33 g/mol. Its IUPAC name is 4-ethoxy-1-(4-fluorophenyl)-N-(2-methoxyethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-ethoxy-1-(4-fluorophenyl)-N-(2-methoxyethyl)pyrazole-3-carboxamide
PubChem CID42109711
Molecular FormulaC15H18FN3O3
Molecular Weight307.33 g/mol
Exact Mass307.13
IUPAC Name4-ethoxy-1-(4-fluorophenyl)-N-(2-methoxyethyl)pyrazole-3-carboxamide
SMILESCCOc1cn(-c2ccc(F)cc2)nc1C(=O)NCCOC
InChIInChI=1S/C15H18FN3O3/c1-3-22-13-10-19(12-6-4-11(16)5-7-12)18-14(13)15(20)17-8-9-21-2/h4-7,10H,3,8-9H2,1-2H3,(H,17,20)
InChIKeyWOOULYWYVQWPKD-UHFFFAOYSA-N
XLogP1.79
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 51.79
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

4-methoxy-N,1-diphenylpyrazole-3-carboxamide
CID 7992430
4-methoxy-N-[(4-methylphenyl)methyl]-1-phenylpyrazole-3-carboxamide
CID 7581178
N-benzyl-4-methoxy-1-phenylpyrazole-3-carboxamide
CID 7992482
4-methoxy-N-(4-methylphenyl)-1-phenylpyrazole-3-carboxamide
CID 9534923
1-(4-fluorophenyl)-4-methoxy-N-[2-(methylsulfanyl)phenyl]-1H-pyrazole-3-carboxamide
CID 25284363
(4-ethoxy-1-(4-fluorophenyl)-1H-pyrazol-3-yl)(2-methylindolin-1-yl)methanone
CID 44062379
4-ethoxy-1-(4-fluorophenyl)-N-(2-methylcyclohexyl)-1H-pyrazole-3-carboxamide
CID 45283985
N-(4-fluoro-2-methylphenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide
CID 8378271
4-methoxy-N-(2-methylpropyl)-1-phenylpyrazole-3-carboxamide
CID 18106024
1-(2-fluorophenyl)-4-[1-(4-fluorophenyl)-4-methoxy-1H-pyrazole-3-carbonyl]piperazine
CID 25284333
N-[(2-chlorophenyl)methyl]-1-(4-fluorophenyl)-4-methoxy-1H-pyrazole-3-carboxamide
CID 25284348
1-(4-fluorophenyl)-4-methoxy-N-[(thiophen-2-yl)methyl]-1H-pyrazole-3-carboxamide
CID 25284352

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-1-(4-fluorophenyl)-N-(2-methoxyethyl)pyrazole-3-carboxamide?
The IUPAC name of 4-ethoxy-1-(4-fluorophenyl)-N-(2-methoxyethyl)pyrazole-3-carboxamide (CID 42109711) is 4-ethoxy-1-(4-fluorophenyl)-N-(2-methoxyethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-ethoxy-1-(4-fluorophenyl)-N-(2-methoxyethyl)pyrazole-3-carboxamide?
The canonical SMILES for 4-ethoxy-1-(4-fluorophenyl)-N-(2-methoxyethyl)pyrazole-3-carboxamide is CCOc1cn(-c2ccc(F)cc2)nc1C(=O)NCCOC.
What is the InChIKey of 4-ethoxy-1-(4-fluorophenyl)-N-(2-methoxyethyl)pyrazole-3-carboxamide?
The InChIKey is WOOULYWYVQWPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O3/c1-3-22-13-10-19(12-6-4-11(16)5-7-12)18-14(13)15(20)17-8-9-21-2/h4-7,10H,3,8-9H2,1-2H3,(H,17,20).
What are the key properties of 4-ethoxy-1-(4-fluorophenyl)-N-(2-methoxyethyl)pyrazole-3-carboxamide?
4-ethoxy-1-(4-fluorophenyl)-N-(2-methoxyethyl)pyrazole-3-carboxamide has a molecular weight of 307.33 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-1-(4-fluorophenyl)-N-(2-methoxyethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 42109711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).