2-amino-N-[1-[2-(2-methoxyethylamino)-2-oxoethyl]pyrazol-4-yl]-2-phenylacetamide

C16H21N5O3 — CID 119333449

IUPAC2-amino-N-[1-[2-(2-methoxyethylamino)-2-oxoethyl]pyrazol-4-yl]-2-phenylacetamide
SMILESCOCCNC(=O)Cn1cc(NC(=O)C(N)c2ccccc2)cn1
InChIInChI=1S/C16H21N5O3/c1-24-8-7-18-14(22)11-21-10-13(9-19-21)20-16(23)15(17)12-5-3-2-4-6-12/h2-6,9-10,15H,7-8,11,17H2,1H3,(H,18,22)(H,20,23)
InChIKeyZHSGOHKTZMPTFE-UHFFFAOYSA-N
MW331.38 g/mol
LogP0.28
Rot. Bonds8

About 2-amino-N-[1-[2-(2-methoxyethylamino)-2-oxoethyl]pyrazol-4-yl]-2-phenylacetamide

2-amino-N-[1-[2-(2-methoxyethylamino)-2-oxoethyl]pyrazol-4-yl]-2-phenylacetamide (PubChem CID 119333449) has the molecular formula C16H21N5O3 and a molecular weight of 331.38 g/mol. Its IUPAC name is 2-amino-N-[1-[2-(2-methoxyethylamino)-2-oxoethyl]pyrazol-4-yl]-2-phenylacetamide.

Molecular Properties

Compound Name2-amino-N-[1-[2-(2-methoxyethylamino)-2-oxoethyl]pyrazol-4-yl]-2-phenylacetamide
PubChem CID119333449
Molecular FormulaC16H21N5O3
Molecular Weight331.38 g/mol
Exact Mass331.16
IUPAC Name2-amino-N-[1-[2-(2-methoxyethylamino)-2-oxoethyl]pyrazol-4-yl]-2-phenylacetamide
SMILESCOCCNC(=O)Cn1cc(NC(=O)C(N)c2ccccc2)cn1
InChIInChI=1S/C16H21N5O3/c1-24-8-7-18-14(22)11-21-10-13(9-19-21)20-16(23)15(17)12-5-3-2-4-6-12/h2-6,9-10,15H,7-8,11,17H2,1H3,(H,18,22)(H,20,23)
InChIKeyZHSGOHKTZMPTFE-UHFFFAOYSA-N
XLogP0.28
TPSA111.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-N-[1-[2-(2-methoxyethylamino)-2-oxoethyl]pyrazol-4-yl]-3,3-dimethylbutanamide
CID 119800898
2-amino-N-(1-ethylpyrazol-4-yl)-2-phenylacetamide
CID 43543649
2-amino-N-[1-(2-methylpropyl)pyrazol-4-yl]-2-phenylacetamide
CID 119338210
3-(2-aminophenyl)-N-[1-[2-(2-methoxyethylamino)-2-oxoethyl]pyrazol-4-yl]propanamide;hydrochloride
CID 120611234
4-(aminomethyl)-N-[1-[2-(2-methoxyethylamino)-2-oxoethyl]pyrazol-4-yl]benzamide
CID 119333445
3-amino-N-[1-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]pyrazol-4-yl]-3-phenylpropanamide;dihydrochloride
CID 119954060
2-amino-N-(3-methoxypropyl)-2-phenylacetamide;hydrochloride
CID 119262550
2-amino-N-[1-(2-methoxyethyl)pyrazol-4-yl]-2-thiophen-2-ylacetamide
CID 115286389
2-amino-5-methoxy-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]pentanamide
CID 81082805
2-amino-N-(1-benzylpyrazol-4-yl)-3-methoxypropanamide
CID 81083334
2-[4-(2-amino-2-phenylacetyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 119836348
(2R)-2-amino-N-[3-(2-methoxyethoxy)propyl]-2-phenylacetamide
CID 61275798

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-[2-(2-methoxyethylamino)-2-oxoethyl]pyrazol-4-yl]-2-phenylacetamide?
The IUPAC name of 2-amino-N-[1-[2-(2-methoxyethylamino)-2-oxoethyl]pyrazol-4-yl]-2-phenylacetamide (CID 119333449) is 2-amino-N-[1-[2-(2-methoxyethylamino)-2-oxoethyl]pyrazol-4-yl]-2-phenylacetamide.
What is the SMILES notation for 2-amino-N-[1-[2-(2-methoxyethylamino)-2-oxoethyl]pyrazol-4-yl]-2-phenylacetamide?
The canonical SMILES for 2-amino-N-[1-[2-(2-methoxyethylamino)-2-oxoethyl]pyrazol-4-yl]-2-phenylacetamide is COCCNC(=O)Cn1cc(NC(=O)C(N)c2ccccc2)cn1.
What is the InChIKey of 2-amino-N-[1-[2-(2-methoxyethylamino)-2-oxoethyl]pyrazol-4-yl]-2-phenylacetamide?
The InChIKey is ZHSGOHKTZMPTFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3/c1-24-8-7-18-14(22)11-21-10-13(9-19-21)20-16(23)15(17)12-5-3-2-4-6-12/h2-6,9-10,15H,7-8,11,17H2,1H3,(H,18,22)(H,20,23).
What are the key properties of 2-amino-N-[1-[2-(2-methoxyethylamino)-2-oxoethyl]pyrazol-4-yl]-2-phenylacetamide?
2-amino-N-[1-[2-(2-methoxyethylamino)-2-oxoethyl]pyrazol-4-yl]-2-phenylacetamide has a molecular weight of 331.38 g/mol, XLogP of 0.28, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-[2-(2-methoxyethylamino)-2-oxoethyl]pyrazol-4-yl]-2-phenylacetamide is sourced from PubChem (CID 119333449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).