N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride

C16H22ClFN4O2 — CID 119731550

IUPACN-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
SMILESCOCCNCC(=O)Nc1ccc(-n2nc(C)cc2C)c(F)c1.Cl
InChIInChI=1S/C16H21FN4O2.ClH/c1-11-8-12(2)21(20-11)15-5-4-13(9-14(15)17)19-16(22)10-18-6-7-23-3;/h4-5,8-9,18H,6-7,10H2,1-3H3,(H,19,22);1H
InChIKeyZKPVHDSWYISAQV-UHFFFAOYSA-N
MW356.83 g/mol
LogP2.22
Rot. Bonds7

About N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride

N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride (PubChem CID 119731550) has the molecular formula C16H22ClFN4O2 and a molecular weight of 356.83 g/mol. Its IUPAC name is N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
PubChem CID119731550
Molecular FormulaC16H22ClFN4O2
Molecular Weight356.83 g/mol
Exact Mass356.14
IUPAC NameN-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
SMILESCOCCNCC(=O)Nc1ccc(-n2nc(C)cc2C)c(F)c1.Cl
InChIInChI=1S/C16H21FN4O2.ClH/c1-11-8-12(2)21(20-11)15-5-4-13(9-14(15)17)19-16(22)10-18-6-7-23-3;/h4-5,8-9,18H,6-7,10H2,1-3H3,(H,19,22);1H
InChIKeyZKPVHDSWYISAQV-UHFFFAOYSA-N
XLogP2.22
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.83
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-2-(2-methoxyethylamino)acetamide
CID 119731551
N-(3-bromo-4-fluorophenyl)-2-(2-methoxyethylamino)acetamide
CID 115738296
N-(4-ethoxy-3-fluorophenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119742218
N-(5-acetamido-2-fluorophenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119705055
2-(2-methoxyethylamino)-N-(3,4,5-trifluorophenyl)acetamide
CID 79281586
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]acetamide
CID 119731535
N-[2-[4-(3,5-dimethylpyrazol-1-yl)-3-fluoroanilino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 55949657
methyl 5-[[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]carbamoyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate
CID 55891890
N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 51085319
2-(2-methoxyethylamino)-N-pyridin-4-ylacetamide;dihydrochloride
CID 119827132
(2S)-2-amino-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-4-methylpentanamide
CID 119731557
N-(3-acetamidophenyl)-2-(2-methoxyethylamino)acetamide
CID 54819836

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride?
The IUPAC name of N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride (CID 119731550) is N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride.
What is the SMILES notation for N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride?
The canonical SMILES for N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride is COCCNCC(=O)Nc1ccc(-n2nc(C)cc2C)c(F)c1.Cl.
What is the InChIKey of N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride?
The InChIKey is ZKPVHDSWYISAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4O2.ClH/c1-11-8-12(2)21(20-11)15-5-4-13(9-14(15)17)19-16(22)10-18-6-7-23-3;/h4-5,8-9,18H,6-7,10H2,1-3H3,(H,19,22);1H.
What are the key properties of N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride?
N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride has a molecular weight of 356.83 g/mol, XLogP of 2.22, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride is sourced from PubChem (CID 119731550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).