N-[1-(3-chlorophenyl)pyrazol-3-yl]-2-morpholin-4-ylacetamide;oxalic acid

C17H19ClN4O6 — CID 67003987

IUPACN-[1-(3-chlorophenyl)pyrazol-3-yl]-2-morpholin-4-ylacetamide;oxalic acid
SMILESO=C(CN1CCOCC1)Nc1ccn(-c2cccc(Cl)c2)n1.O=C(O)C(=O)O
InChIInChI=1S/C15H17ClN4O2.C2H2O4/c16-12-2-1-3-13(10-12)20-5-4-14(18-20)17-15(21)11-19-6-8-22-9-7-19;3-1(4)2(5)6/h1-5,10H,6-9,11H2,(H,17,18,21);(H,3,4)(H,5,6)
InChIKeyIPEAKRDINSLFJU-UHFFFAOYSA-N
MW410.81 g/mol
LogP0.95
Rot. Bonds4

About N-[1-(3-chlorophenyl)pyrazol-3-yl]-2-morpholin-4-ylacetamide;oxalic acid

N-[1-(3-chlorophenyl)pyrazol-3-yl]-2-morpholin-4-ylacetamide;oxalic acid (PubChem CID 67003987) has the molecular formula C17H19ClN4O6 and a molecular weight of 410.81 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)pyrazol-3-yl]-2-morpholin-4-ylacetamide;oxalic acid.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)pyrazol-3-yl]-2-morpholin-4-ylacetamide;oxalic acid
PubChem CID67003987
Molecular FormulaC17H19ClN4O6
Molecular Weight410.81 g/mol
Exact Mass410.10
IUPAC NameN-[1-(3-chlorophenyl)pyrazol-3-yl]-2-morpholin-4-ylacetamide;oxalic acid
SMILESO=C(CN1CCOCC1)Nc1ccn(-c2cccc(Cl)c2)n1.O=C(O)C(=O)O
InChIInChI=1S/C15H17ClN4O2.C2H2O4/c16-12-2-1-3-13(10-12)20-5-4-14(18-20)17-15(21)11-19-6-8-22-9-7-19;3-1(4)2(5)6/h1-5,10H,6-9,11H2,(H,17,18,21);(H,3,4)(H,5,6)
InChIKeyIPEAKRDINSLFJU-UHFFFAOYSA-N
XLogP0.95
TPSA133.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.81
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(3,4-dichlorophenyl)pyrazol-3-yl]-2-piperidin-1-ylacetamide
CID 24743571
2-[(3S)-3-ethoxypiperidin-1-yl]-2-oxo-N-(1-phenylpyrazol-3-yl)acetamide
CID 95192799
(2S)-4-[[1-(2,4-dichlorophenyl)pyrazol-3-yl]carbamoyl]morpholine-2-carboxylic acid
CID 164637700
(2R)-N-[1-(2,4-dichlorophenyl)pyrazol-3-yl]morpholine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 166238518
Methyl 2-[3-[[2-(3-chloro-2-fluoroanilino)-2-oxoacetyl]amino]pyrazol-1-yl]acetate
CID 167819155
Ethyl 2-[[2-[1-(3-chlorophenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]acetyl]amino]acetate
CID 7243719
2-(2,2-dimethylmorpholin-4-yl)-2-oxo-N-(1-phenylpyrazol-3-yl)acetamide
CID 53564040
N-(1-(3,4-dichlorophenyl)-1H-pyrazol-3-yl)-2-morpholinoacetamide
CID 24743570
N-[1-(2,4-dichlorophenyl)pyrazol-3-yl]-2-(2,6-dimethylmorpholin-4-yl)acetamide
CID 57705430
N-[1-(3,4-dichlorophenyl)pyrazol-3-yl]-2-(4-methylpiperazin-1-yl)acetamide
CID 57705451
N-[1-(3,4-dichlorophenyl)pyrazol-3-yl]-4-(2,6-dimethylmorpholin-4-yl)butanamide
CID 57705453
N-[1-(3,4-dichlorophenyl)pyrazol-3-yl]-2-(2,6-dimethylmorpholin-4-yl)acetamide
CID 57705454

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)pyrazol-3-yl]-2-morpholin-4-ylacetamide;oxalic acid?
The IUPAC name of N-[1-(3-chlorophenyl)pyrazol-3-yl]-2-morpholin-4-ylacetamide;oxalic acid (CID 67003987) is N-[1-(3-chlorophenyl)pyrazol-3-yl]-2-morpholin-4-ylacetamide;oxalic acid.
What is the SMILES notation for N-[1-(3-chlorophenyl)pyrazol-3-yl]-2-morpholin-4-ylacetamide;oxalic acid?
The canonical SMILES for N-[1-(3-chlorophenyl)pyrazol-3-yl]-2-morpholin-4-ylacetamide;oxalic acid is O=C(CN1CCOCC1)Nc1ccn(-c2cccc(Cl)c2)n1.O=C(O)C(=O)O.
What is the InChIKey of N-[1-(3-chlorophenyl)pyrazol-3-yl]-2-morpholin-4-ylacetamide;oxalic acid?
The InChIKey is IPEAKRDINSLFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O2.C2H2O4/c16-12-2-1-3-13(10-12)20-5-4-14(18-20)17-15(21)11-19-6-8-22-9-7-19;3-1(4)2(5)6/h1-5,10H,6-9,11H2,(H,17,18,21);(H,3,4)(H,5,6).
What are the key properties of N-[1-(3-chlorophenyl)pyrazol-3-yl]-2-morpholin-4-ylacetamide;oxalic acid?
N-[1-(3-chlorophenyl)pyrazol-3-yl]-2-morpholin-4-ylacetamide;oxalic acid has a molecular weight of 410.81 g/mol, XLogP of 0.95, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)pyrazol-3-yl]-2-morpholin-4-ylacetamide;oxalic acid is sourced from PubChem (CID 67003987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).