N-(2-imidazol-1-ylethyl)-N'-[4-(1H-pyrazol-5-yl)phenyl]oxamide

C16H16N6O2 — CID 75443494

IUPACN-(2-imidazol-1-ylethyl)-N'-[4-(1H-pyrazol-5-yl)phenyl]oxamide
SMILESO=C(NCCn1ccnc1)C(=O)Nc1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C16H16N6O2/c23-15(18-8-10-22-9-7-17-11-22)16(24)20-13-3-1-12(2-4-13)14-5-6-19-21-14/h1-7,9,11H,8,10H2,(H,18,23)(H,19,21)(H,20,24)
InChIKeyQOCFRTIUAMBYRK-UHFFFAOYSA-N
MW324.34 g/mol
LogP1.03
Rot. Bonds5

About N-(2-imidazol-1-ylethyl)-N'-[4-(1H-pyrazol-5-yl)phenyl]oxamide

N-(2-imidazol-1-ylethyl)-N'-[4-(1H-pyrazol-5-yl)phenyl]oxamide (PubChem CID 75443494) has the molecular formula C16H16N6O2 and a molecular weight of 324.34 g/mol. Its IUPAC name is N-(2-imidazol-1-ylethyl)-N'-[4-(1H-pyrazol-5-yl)phenyl]oxamide.

Molecular Properties

Compound NameN-(2-imidazol-1-ylethyl)-N'-[4-(1H-pyrazol-5-yl)phenyl]oxamide
PubChem CID75443494
Molecular FormulaC16H16N6O2
Molecular Weight324.34 g/mol
Exact Mass324.13
IUPAC NameN-(2-imidazol-1-ylethyl)-N'-[4-(1H-pyrazol-5-yl)phenyl]oxamide
SMILESO=C(NCCn1ccnc1)C(=O)Nc1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C16H16N6O2/c23-15(18-8-10-22-9-7-17-11-22)16(24)20-13-3-1-12(2-4-13)14-5-6-19-21-14/h1-7,9,11H,8,10H2,(H,18,23)(H,19,21)(H,20,24)
InChIKeyQOCFRTIUAMBYRK-UHFFFAOYSA-N
XLogP1.03
TPSA104.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(2-imidazol-1-ylethyl)-N'-[4-(1H-pyrazol-5-yl)phenyl]oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)oxamide
CID 2883621
N-(3-imidazol-1-ylpropyl)-N'-(3-methylphenyl)oxamide
CID 2890255
1-[[4-(1H-pyrazol-5-yl)phenyl]methyl]imidazole
CID 28740129
1-(2-imidazol-1-ylethyl)-3-phenylthiourea
CID 115570770
1-[4-(1-hydroxyethyl)phenyl]-3-(2-imidazol-1-ylethyl)urea
CID 61461408
N'-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-N-(3-imidazol-1-ylpropyl)oxamide
CID 42649876
N-butyl-N'-(3-imidazol-1-ylpropyl)oxamide
CID 565508
2-imidazol-1-ylethylurea
CID 61061185
(3R,5S)-3-N-(2-imidazol-1-ylethyl)-5-N-(4-methylphenyl)piperidine-3,5-dicarboxamide
CID 72916190
2,5-dimethyl-N-[4-(1H-pyrazol-5-yl)phenyl]pyrazole-3-carboxamide
CID 61069082
N'-(2,3-dichlorophenyl)-N-(3-imidazol-1-ylpropyl)oxamide
CID 3107625
N'-(2,3-dimethylphenyl)-N-(3-imidazol-1-ylpropyl)oxamide
CID 3145465

Frequently Asked Questions

What is the IUPAC name of N-(2-imidazol-1-ylethyl)-N'-[4-(1H-pyrazol-5-yl)phenyl]oxamide?
The IUPAC name of N-(2-imidazol-1-ylethyl)-N'-[4-(1H-pyrazol-5-yl)phenyl]oxamide (CID 75443494) is N-(2-imidazol-1-ylethyl)-N'-[4-(1H-pyrazol-5-yl)phenyl]oxamide.
What is the SMILES notation for N-(2-imidazol-1-ylethyl)-N'-[4-(1H-pyrazol-5-yl)phenyl]oxamide?
The canonical SMILES for N-(2-imidazol-1-ylethyl)-N'-[4-(1H-pyrazol-5-yl)phenyl]oxamide is O=C(NCCn1ccnc1)C(=O)Nc1ccc(-c2ccn[nH]2)cc1.
What is the InChIKey of N-(2-imidazol-1-ylethyl)-N'-[4-(1H-pyrazol-5-yl)phenyl]oxamide?
The InChIKey is QOCFRTIUAMBYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O2/c23-15(18-8-10-22-9-7-17-11-22)16(24)20-13-3-1-12(2-4-13)14-5-6-19-21-14/h1-7,9,11H,8,10H2,(H,18,23)(H,19,21)(H,20,24).
What are the key properties of N-(2-imidazol-1-ylethyl)-N'-[4-(1H-pyrazol-5-yl)phenyl]oxamide?
N-(2-imidazol-1-ylethyl)-N'-[4-(1H-pyrazol-5-yl)phenyl]oxamide has a molecular weight of 324.34 g/mol, XLogP of 1.03, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazol-1-ylethyl)-N'-[4-(1H-pyrazol-5-yl)phenyl]oxamide is sourced from PubChem (CID 75443494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).