N-(2-ethoxyphenyl)-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide

C19H18FN3O3 — CID 25284362

IUPACN-(2-ethoxyphenyl)-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide
SMILESCCOc1ccccc1NC(=O)c1nn(-c2ccc(F)cc2)cc1OC
InChIInChI=1S/C19H18FN3O3/c1-3-26-16-7-5-4-6-15(16)21-19(24)18-17(25-2)12-23(22-18)14-10-8-13(20)9-11-14/h4-12H,3H2,1-2H3,(H,21,24)
InChIKeyLACHTOWJGSWBGQ-UHFFFAOYSA-N
MW355.37 g/mol
LogP3.67
Rot. Bonds6

About N-(2-ethoxyphenyl)-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide

N-(2-ethoxyphenyl)-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide (PubChem CID 25284362) has the molecular formula C19H18FN3O3 and a molecular weight of 355.37 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide
PubChem CID25284362
Molecular FormulaC19H18FN3O3
Molecular Weight355.37 g/mol
Exact Mass355.13
IUPAC NameN-(2-ethoxyphenyl)-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide
SMILESCCOc1ccccc1NC(=O)c1nn(-c2ccc(F)cc2)cc1OC
InChIInChI=1S/C19H18FN3O3/c1-3-26-16-7-5-4-6-15(16)21-19(24)18-17(25-2)12-23(22-18)14-10-8-13(20)9-11-14/h4-12H,3H2,1-2H3,(H,21,24)
InChIKeyLACHTOWJGSWBGQ-UHFFFAOYSA-N
XLogP3.67
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-N-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 892441
4-methoxy-N,1-diphenylpyrazole-3-carboxamide
CID 7992430
4-methoxy-N-[(4-methoxyphenyl)methyl]-1-phenylpyrazole-3-carboxamide
CID 7992549
4-methoxy-N-(2-methoxy-5-methylphenyl)-1-phenylpyrazole-3-carboxamide
CID 7992588
4-Bromo-N-(2-methoxyphenyl)-1-methyl-1H-pyrazole-3-carboxamide
CID 604548
4-bromo-N-(2-ethoxyphenyl)-1-methyl-1H-pyrazole-5-carboxamide
CID 903277
3-(2-Methoxy-phenylcarbamoyl)-pyrazole-1-carboxylic acid butyl ester
CID 654121
1-benzyl-4-fluoro-N-[(3S)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyrazole-3-carboxamide
CID 130299021
4-fluoro-1-[(6-methoxy-2-pyridinyl)methyl]-N-[(3S)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyrazole-3-carboxamide
CID 130299163
1-benzyl-4-fluoro-5-methyl-N-[(3S)-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl]pyrazole-3-carboxamide
CID 130299227
4-fluoro-N-[(3S)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1-(pyridin-2-ylmethyl)pyrazole-3-carboxamide
CID 130299369
1-benzyl-4-fluoro-5-methyl-N-[(3S)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyrazole-3-carboxamide
CID 130299371

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide?
The IUPAC name of N-(2-ethoxyphenyl)-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide (CID 25284362) is N-(2-ethoxyphenyl)-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide?
The canonical SMILES for N-(2-ethoxyphenyl)-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide is CCOc1ccccc1NC(=O)c1nn(-c2ccc(F)cc2)cc1OC.
What is the InChIKey of N-(2-ethoxyphenyl)-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide?
The InChIKey is LACHTOWJGSWBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O3/c1-3-26-16-7-5-4-6-15(16)21-19(24)18-17(25-2)12-23(22-18)14-10-8-13(20)9-11-14/h4-12H,3H2,1-2H3,(H,21,24).
What are the key properties of N-(2-ethoxyphenyl)-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide?
N-(2-ethoxyphenyl)-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide has a molecular weight of 355.37 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide is sourced from PubChem (CID 25284362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).