[2-(2-ethoxyethyl)-5-methylpyrazol-3-yl]-[2-(4-fluorophenyl)morpholin-4-yl]methanone

C19H24FN3O3 — CID 56879889

IUPAC[2-(2-ethoxyethyl)-5-methylpyrazol-3-yl]-[2-(4-fluorophenyl)morpholin-4-yl]methanone
SMILESCCOCCn1nc(C)cc1C(=O)N1CCOC(c2ccc(F)cc2)C1
InChIInChI=1S/C19H24FN3O3/c1-3-25-10-9-23-17(12-14(2)21-23)19(24)22-8-11-26-18(13-22)15-4-6-16(20)7-5-15/h4-7,12,18H,3,8-11,13H2,1-2H3
InChIKeyWWHMGGNWZLJTPR-UHFFFAOYSA-N
MW361.42 g/mol
LogP2.58
Rot. Bonds6

About [2-(2-ethoxyethyl)-5-methylpyrazol-3-yl]-[2-(4-fluorophenyl)morpholin-4-yl]methanone

[2-(2-ethoxyethyl)-5-methylpyrazol-3-yl]-[2-(4-fluorophenyl)morpholin-4-yl]methanone (PubChem CID 56879889) has the molecular formula C19H24FN3O3 and a molecular weight of 361.42 g/mol. Its IUPAC name is [2-(2-ethoxyethyl)-5-methylpyrazol-3-yl]-[2-(4-fluorophenyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name[2-(2-ethoxyethyl)-5-methylpyrazol-3-yl]-[2-(4-fluorophenyl)morpholin-4-yl]methanone
PubChem CID56879889
Molecular FormulaC19H24FN3O3
Molecular Weight361.42 g/mol
Exact Mass361.18
IUPAC Name[2-(2-ethoxyethyl)-5-methylpyrazol-3-yl]-[2-(4-fluorophenyl)morpholin-4-yl]methanone
SMILESCCOCCn1nc(C)cc1C(=O)N1CCOC(c2ccc(F)cc2)C1
InChIInChI=1S/C19H24FN3O3/c1-3-25-10-9-23-17(12-14(2)21-23)19(24)22-8-11-26-18(13-22)15-4-6-16(20)7-5-15/h4-7,12,18H,3,8-11,13H2,1-2H3
InChIKeyWWHMGGNWZLJTPR-UHFFFAOYSA-N
XLogP2.58
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 3-phenyl-1-(phenylmethyl)-1H-pyrazole-5-carboxylate
CID 3403603
Methyl 5-(4-fluorobenzyl)-4-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxylate
CID 1475682
[3-Tert-butyl-1-[(3-methylphenyl)methyl]pyrazol-5-yl]-morpholin-4-ylmethanone
CID 2747308
2-(3,5-dimethyl-1H-pyrazol-1-yl)cyclohexyl benzoate
CID 660944
2-[4-(1,5-Dimethyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone
CID 24812461
2-(3,5-dimethyl-1H-pyrazol-1-yl)cyclohexyl 2-fluorobenzoate
CID 3832966
1-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]-5-phenylpyrazole-3-carboxamide
CID 71087734
1-methyl-N-[4-[(2R)-morpholin-2-yl]phenyl]-3-phenylpyrazole-5-carboxamide
CID 71087834
1-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]-3-phenylpyrazole-5-carboxamide
CID 71088004
3-(4-fluorophenyl)-1-methyl-N-[4-[(2R)-morpholin-2-yl]phenyl]pyrazole-5-carboxamide
CID 71105844
2-methyl-5-phenyl-2H-pyrazole-3-carboxylic acid ((R)-2-fluoro-4-morpholin-2-yl-phenyl)-amide
CID 71112733
N-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-1-methyl-3-phenylpyrazole-5-carboxamide
CID 71112742

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethoxyethyl)-5-methylpyrazol-3-yl]-[2-(4-fluorophenyl)morpholin-4-yl]methanone?
The IUPAC name of [2-(2-ethoxyethyl)-5-methylpyrazol-3-yl]-[2-(4-fluorophenyl)morpholin-4-yl]methanone (CID 56879889) is [2-(2-ethoxyethyl)-5-methylpyrazol-3-yl]-[2-(4-fluorophenyl)morpholin-4-yl]methanone.
What is the SMILES notation for [2-(2-ethoxyethyl)-5-methylpyrazol-3-yl]-[2-(4-fluorophenyl)morpholin-4-yl]methanone?
The canonical SMILES for [2-(2-ethoxyethyl)-5-methylpyrazol-3-yl]-[2-(4-fluorophenyl)morpholin-4-yl]methanone is CCOCCn1nc(C)cc1C(=O)N1CCOC(c2ccc(F)cc2)C1.
What is the InChIKey of [2-(2-ethoxyethyl)-5-methylpyrazol-3-yl]-[2-(4-fluorophenyl)morpholin-4-yl]methanone?
The InChIKey is WWHMGGNWZLJTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O3/c1-3-25-10-9-23-17(12-14(2)21-23)19(24)22-8-11-26-18(13-22)15-4-6-16(20)7-5-15/h4-7,12,18H,3,8-11,13H2,1-2H3.
What are the key properties of [2-(2-ethoxyethyl)-5-methylpyrazol-3-yl]-[2-(4-fluorophenyl)morpholin-4-yl]methanone?
[2-(2-ethoxyethyl)-5-methylpyrazol-3-yl]-[2-(4-fluorophenyl)morpholin-4-yl]methanone has a molecular weight of 361.42 g/mol, XLogP of 2.58, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethoxyethyl)-5-methylpyrazol-3-yl]-[2-(4-fluorophenyl)morpholin-4-yl]methanone is sourced from PubChem (CID 56879889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).