N-(3-fluoro-5-morpholin-4-ylphenyl)-2-methyl-2-pyrazol-1-ylpropanamide

C17H21FN4O2 — CID 136553437

IUPACN-(3-fluoro-5-morpholin-4-ylphenyl)-2-methyl-2-pyrazol-1-ylpropanamide
SMILESCC(C)(C(=O)Nc1cc(F)cc(N2CCOCC2)c1)n1cccn1
InChIInChI=1S/C17H21FN4O2/c1-17(2,22-5-3-4-19-22)16(23)20-14-10-13(18)11-15(12-14)21-6-8-24-9-7-21/h3-5,10-12H,6-9H2,1-2H3,(H,20,23)
InChIKeyONLMLEARTYZCSC-UHFFFAOYSA-N
MW332.38 g/mol
LogP2.23
Rot. Bonds4

About N-(3-fluoro-5-morpholin-4-ylphenyl)-2-methyl-2-pyrazol-1-ylpropanamide

N-(3-fluoro-5-morpholin-4-ylphenyl)-2-methyl-2-pyrazol-1-ylpropanamide (PubChem CID 136553437) has the molecular formula C17H21FN4O2 and a molecular weight of 332.38 g/mol. Its IUPAC name is N-(3-fluoro-5-morpholin-4-ylphenyl)-2-methyl-2-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-(3-fluoro-5-morpholin-4-ylphenyl)-2-methyl-2-pyrazol-1-ylpropanamide
PubChem CID136553437
Molecular FormulaC17H21FN4O2
Molecular Weight332.38 g/mol
Exact Mass332.16
IUPAC NameN-(3-fluoro-5-morpholin-4-ylphenyl)-2-methyl-2-pyrazol-1-ylpropanamide
SMILESCC(C)(C(=O)Nc1cc(F)cc(N2CCOCC2)c1)n1cccn1
InChIInChI=1S/C17H21FN4O2/c1-17(2,22-5-3-4-19-22)16(23)20-14-10-13(18)11-15(12-14)21-6-8-24-9-7-21/h3-5,10-12H,6-9H2,1-2H3,(H,20,23)
InChIKeyONLMLEARTYZCSC-UHFFFAOYSA-N
XLogP2.23
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 ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-fluoro-5-morpholin-4-ylphenyl)-3-(1-methylpyrazol-3-yl)urea
CID 91649292
(2S)-N-(3-fluoro-5-morpholin-4-ylphenyl)pyrrolidine-2-carboxamide
CID 122081452
2,2-dimethyl-N-(3-morpholin-4-ylphenyl)propanamide
CID 47342308
1-amino-N-(3-fluoro-5-morpholin-4-ylphenyl)cyclohexane-1-carboxamide
CID 119871802
2-amino-N-(3-fluoro-5-morpholin-4-ylphenyl)-2-(oxan-4-yl)acetamide
CID 120799542
1-[(3-fluoro-5-morpholin-4-ylphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102256
N-(3-fluoro-5-morpholin-4-ylphenyl)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide
CID 126768067
N-(3-fluoro-5-morpholin-4-ylphenyl)-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 47088928
(2R)-2-cyclohexyl-N-(3-fluoro-5-morpholin-4-ylphenyl)pyrrolidine-1-carboxamide
CID 129403478
N-(3-fluoro-5-morpholin-4-ylphenyl)morpholine-2-carboxamide;dihydrochloride
CID 119871805
2-(aminomethyl)-N-(3-fluoro-5-morpholin-4-ylphenyl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119871793
2-methyl-N-(4-morpholin-4-ylphenyl)-2-(2-oxoazetidin-1-yl)propanamide
CID 1495338

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-5-morpholin-4-ylphenyl)-2-methyl-2-pyrazol-1-ylpropanamide?
The IUPAC name of N-(3-fluoro-5-morpholin-4-ylphenyl)-2-methyl-2-pyrazol-1-ylpropanamide (CID 136553437) is N-(3-fluoro-5-morpholin-4-ylphenyl)-2-methyl-2-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-(3-fluoro-5-morpholin-4-ylphenyl)-2-methyl-2-pyrazol-1-ylpropanamide?
The canonical SMILES for N-(3-fluoro-5-morpholin-4-ylphenyl)-2-methyl-2-pyrazol-1-ylpropanamide is CC(C)(C(=O)Nc1cc(F)cc(N2CCOCC2)c1)n1cccn1.
What is the InChIKey of N-(3-fluoro-5-morpholin-4-ylphenyl)-2-methyl-2-pyrazol-1-ylpropanamide?
The InChIKey is ONLMLEARTYZCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O2/c1-17(2,22-5-3-4-19-22)16(23)20-14-10-13(18)11-15(12-14)21-6-8-24-9-7-21/h3-5,10-12H,6-9H2,1-2H3,(H,20,23).
What are the key properties of N-(3-fluoro-5-morpholin-4-ylphenyl)-2-methyl-2-pyrazol-1-ylpropanamide?
N-(3-fluoro-5-morpholin-4-ylphenyl)-2-methyl-2-pyrazol-1-ylpropanamide has a molecular weight of 332.38 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-5-morpholin-4-ylphenyl)-2-methyl-2-pyrazol-1-ylpropanamide is sourced from PubChem (CID 136553437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).