N'-(2-chlorophenyl)-N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]oxamide

C17H15ClN4O3 — CID 119102102

IUPACN'-(2-chlorophenyl)-N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]oxamide
SMILESO=C(NCC(c1ccco1)n1cccn1)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C17H15ClN4O3/c18-12-5-1-2-6-13(12)21-17(24)16(23)19-11-14(15-7-3-10-25-15)22-9-4-8-20-22/h1-10,14H,11H2,(H,19,23)(H,21,24)
InChIKeyZMUUTFXDJPAUOS-UHFFFAOYSA-N
MW358.79 g/mol
LogP2.47
Rot. Bonds5

About N'-(2-chlorophenyl)-N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]oxamide

N'-(2-chlorophenyl)-N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]oxamide (PubChem CID 119102102) has the molecular formula C17H15ClN4O3 and a molecular weight of 358.79 g/mol. Its IUPAC name is N'-(2-chlorophenyl)-N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]oxamide.

Molecular Properties

Compound NameN'-(2-chlorophenyl)-N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]oxamide
PubChem CID119102102
Molecular FormulaC17H15ClN4O3
Molecular Weight358.79 g/mol
Exact Mass358.08
IUPAC NameN'-(2-chlorophenyl)-N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]oxamide
SMILESO=C(NCC(c1ccco1)n1cccn1)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C17H15ClN4O3/c18-12-5-1-2-6-13(12)21-17(24)16(23)19-11-14(15-7-3-10-25-15)22-9-4-8-20-22/h1-10,14H,11H2,(H,19,23)(H,21,24)
InChIKeyZMUUTFXDJPAUOS-UHFFFAOYSA-N
XLogP2.47
TPSA89.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.79
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-N'-(4-methylphenyl)oxamide
CID 122266215
N-(furan-2-ylmethyl)-N'-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]oxamide
CID 122266212
N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-N'-(2,4,6-trimethylphenyl)oxamide
CID 122266237
1-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-3-(2-methoxyphenyl)urea
CID 122266298
N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-2,2-diphenylacetamide
CID 122266052
N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]cyclopentanecarboxamide
CID 122265941
N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-3-methylbutanamide
CID 122265939
N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]cyclohexanecarboxamide
CID 122265946
N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]oxane-4-carboxamide
CID 121019365
2,6-difluoro-N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]benzamide
CID 122265973
2-ethoxy-N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]acetamide
CID 122265940
2-cyclohexyl-N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]acetamide
CID 122265953

Frequently Asked Questions

What is the IUPAC name of N'-(2-chlorophenyl)-N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]oxamide?
The IUPAC name of N'-(2-chlorophenyl)-N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]oxamide (CID 119102102) is N'-(2-chlorophenyl)-N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]oxamide.
What is the SMILES notation for N'-(2-chlorophenyl)-N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]oxamide?
The canonical SMILES for N'-(2-chlorophenyl)-N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]oxamide is O=C(NCC(c1ccco1)n1cccn1)C(=O)Nc1ccccc1Cl.
What is the InChIKey of N'-(2-chlorophenyl)-N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]oxamide?
The InChIKey is ZMUUTFXDJPAUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O3/c18-12-5-1-2-6-13(12)21-17(24)16(23)19-11-14(15-7-3-10-25-15)22-9-4-8-20-22/h1-10,14H,11H2,(H,19,23)(H,21,24).
What are the key properties of N'-(2-chlorophenyl)-N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]oxamide?
N'-(2-chlorophenyl)-N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]oxamide has a molecular weight of 358.79 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chlorophenyl)-N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]oxamide is sourced from PubChem (CID 119102102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).