2-(2-methoxyethylamino)-N-(1-phenylpyrazol-4-yl)acetamide;hydrochloride

C14H19ClN4O2 — CID 119753037

IUPAC2-(2-methoxyethylamino)-N-(1-phenylpyrazol-4-yl)acetamide;hydrochloride
SMILESCOCCNCC(=O)Nc1cnn(-c2ccccc2)c1.Cl
InChIInChI=1S/C14H18N4O2.ClH/c1-20-8-7-15-10-14(19)17-12-9-16-18(11-12)13-5-3-2-4-6-13;/h2-6,9,11,15H,7-8,10H2,1H3,(H,17,19);1H
InChIKeyOQDAAEPLOGRINC-UHFFFAOYSA-N
MW310.79 g/mol
LogP1.47
Rot. Bonds7

About 2-(2-methoxyethylamino)-N-(1-phenylpyrazol-4-yl)acetamide;hydrochloride

2-(2-methoxyethylamino)-N-(1-phenylpyrazol-4-yl)acetamide;hydrochloride (PubChem CID 119753037) has the molecular formula C14H19ClN4O2 and a molecular weight of 310.79 g/mol. Its IUPAC name is 2-(2-methoxyethylamino)-N-(1-phenylpyrazol-4-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(2-methoxyethylamino)-N-(1-phenylpyrazol-4-yl)acetamide;hydrochloride
PubChem CID119753037
Molecular FormulaC14H19ClN4O2
Molecular Weight310.79 g/mol
Exact Mass310.12
IUPAC Name2-(2-methoxyethylamino)-N-(1-phenylpyrazol-4-yl)acetamide;hydrochloride
SMILESCOCCNCC(=O)Nc1cnn(-c2ccccc2)c1.Cl
InChIInChI=1S/C14H18N4O2.ClH/c1-20-8-7-15-10-14(19)17-12-9-16-18(11-12)13-5-3-2-4-6-13;/h2-6,9,11,15H,7-8,10H2,1H3,(H,17,19);1H
InChIKeyOQDAAEPLOGRINC-UHFFFAOYSA-N
XLogP1.47
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.79
LogP ≤ 51.47
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

2-(2-methoxyethylamino)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide;hydrochloride
CID 119700611
2-(2-methoxyethylamino)-N-pyridin-4-ylacetamide;dihydrochloride
CID 119827132
2-(1,5-dimethylpyrazol-4-yl)-N-(1-phenylpyrazol-4-yl)acetamide
CID 146125663
2-(2-methoxyethylamino)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide
CID 119796081
3-methyl-5-oxo-5-[(1-phenylpyrazol-4-yl)amino]pentanoic acid
CID 126840528
N-(6-anilino-3-pyridinyl)-2-(2-methoxyethylamino)acetamide
CID 119870649
1-phenyl-N-(1-phenylpyrazol-4-yl)pyrazole-4-carboxamide
CID 171981866
4-[4-[(2-methoxyacetyl)amino]pyrazol-1-yl]-N-[(1S)-1-(1-phenylpyrazol-4-yl)ethyl]benzamide
CID 25296478
2-[3-(2-methoxyethoxy)propylamino]-N-phenylacetamide
CID 103605722
N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-2-(2-methoxyethylamino)acetamide
CID 79270069
2-(methylamino)-N-(1-pyridin-4-ylpyrazol-4-yl)acetamide
CID 110470511
6-methyl-N-(1-phenylpyrazol-4-yl)pyridine-2-carboxamide
CID 110472220

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylamino)-N-(1-phenylpyrazol-4-yl)acetamide;hydrochloride?
The IUPAC name of 2-(2-methoxyethylamino)-N-(1-phenylpyrazol-4-yl)acetamide;hydrochloride (CID 119753037) is 2-(2-methoxyethylamino)-N-(1-phenylpyrazol-4-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-(2-methoxyethylamino)-N-(1-phenylpyrazol-4-yl)acetamide;hydrochloride?
The canonical SMILES for 2-(2-methoxyethylamino)-N-(1-phenylpyrazol-4-yl)acetamide;hydrochloride is COCCNCC(=O)Nc1cnn(-c2ccccc2)c1.Cl.
What is the InChIKey of 2-(2-methoxyethylamino)-N-(1-phenylpyrazol-4-yl)acetamide;hydrochloride?
The InChIKey is OQDAAEPLOGRINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2.ClH/c1-20-8-7-15-10-14(19)17-12-9-16-18(11-12)13-5-3-2-4-6-13;/h2-6,9,11,15H,7-8,10H2,1H3,(H,17,19);1H.
What are the key properties of 2-(2-methoxyethylamino)-N-(1-phenylpyrazol-4-yl)acetamide;hydrochloride?
2-(2-methoxyethylamino)-N-(1-phenylpyrazol-4-yl)acetamide;hydrochloride has a molecular weight of 310.79 g/mol, XLogP of 1.47, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylamino)-N-(1-phenylpyrazol-4-yl)acetamide;hydrochloride is sourced from PubChem (CID 119753037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).