N-(2,5-dimethylpyrazol-3-yl)-2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]acetamide

C17H21FN4O2 — CID 94007240

IUPACN-(2,5-dimethylpyrazol-3-yl)-2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]acetamide
SMILESCc1cc(NC(=O)CN2CCO[C@@H](c3ccc(F)cc3)C2)n(C)n1
InChIInChI=1S/C17H21FN4O2/c1-12-9-16(21(2)20-12)19-17(23)11-22-7-8-24-15(10-22)13-3-5-14(18)6-4-13/h3-6,9,15H,7-8,10-11H2,1-2H3,(H,19,23)/t15-/m1/s1
InChIKeyQZDAKIUWHWUNDC-OAHLLOKOSA-N
MW332.38 g/mol
LogP1.88
Rot. Bonds4

About N-(2,5-dimethylpyrazol-3-yl)-2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]acetamide

N-(2,5-dimethylpyrazol-3-yl)-2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]acetamide (PubChem CID 94007240) has the molecular formula C17H21FN4O2 and a molecular weight of 332.38 g/mol. Its IUPAC name is N-(2,5-dimethylpyrazol-3-yl)-2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethylpyrazol-3-yl)-2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]acetamide
PubChem CID94007240
Molecular FormulaC17H21FN4O2
Molecular Weight332.38 g/mol
Exact Mass332.16
IUPAC NameN-(2,5-dimethylpyrazol-3-yl)-2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]acetamide
SMILESCc1cc(NC(=O)CN2CCO[C@@H](c3ccc(F)cc3)C2)n(C)n1
InChIInChI=1S/C17H21FN4O2/c1-12-9-16(21(2)20-12)19-17(23)11-22-7-8-24-15(10-22)13-3-5-14(18)6-4-13/h3-6,9,15H,7-8,10-11H2,1-2H3,(H,19,23)/t15-/m1/s1
InChIKeyQZDAKIUWHWUNDC-OAHLLOKOSA-N
XLogP1.88
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]acetamide?
The IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]acetamide (CID 94007240) is N-(2,5-dimethylpyrazol-3-yl)-2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]acetamide.
What is the SMILES notation for N-(2,5-dimethylpyrazol-3-yl)-2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]acetamide?
The canonical SMILES for N-(2,5-dimethylpyrazol-3-yl)-2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]acetamide is Cc1cc(NC(=O)CN2CCO[C@@H](c3ccc(F)cc3)C2)n(C)n1.
What is the InChIKey of N-(2,5-dimethylpyrazol-3-yl)-2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]acetamide?
The InChIKey is QZDAKIUWHWUNDC-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H21FN4O2/c1-12-9-16(21(2)20-12)19-17(23)11-22-7-8-24-15(10-22)13-3-5-14(18)6-4-13/h3-6,9,15H,7-8,10-11H2,1-2H3,(H,19,23)/t15-/m1/s1.
What are the key properties of N-(2,5-dimethylpyrazol-3-yl)-2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]acetamide?
N-(2,5-dimethylpyrazol-3-yl)-2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]acetamide has a molecular weight of 332.38 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylpyrazol-3-yl)-2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]acetamide is sourced from PubChem (CID 94007240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).