N-(3,3-diphenylpropyl)-N'-(1H-pyrazol-5-yl)oxamide

C20H20N4O2 — CID 51053905

IUPACN-(3,3-diphenylpropyl)-N'-(1H-pyrazol-5-yl)oxamide
SMILESO=C(NCCC(c1ccccc1)c1ccccc1)C(=O)Nc1ccn[nH]1
InChIInChI=1S/C20H20N4O2/c25-19(20(26)23-18-12-14-22-24-18)21-13-11-17(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,12,14,17H,11,13H2,(H,21,25)(H2,22,23,24,26)
InChIKeyCPPMMGPYKURPTH-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.69
Rot. Bonds6

About N-(3,3-diphenylpropyl)-N'-(1H-pyrazol-5-yl)oxamide

N-(3,3-diphenylpropyl)-N'-(1H-pyrazol-5-yl)oxamide (PubChem CID 51053905) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is N-(3,3-diphenylpropyl)-N'-(1H-pyrazol-5-yl)oxamide.

Molecular Properties

Compound NameN-(3,3-diphenylpropyl)-N'-(1H-pyrazol-5-yl)oxamide
PubChem CID51053905
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC NameN-(3,3-diphenylpropyl)-N'-(1H-pyrazol-5-yl)oxamide
SMILESO=C(NCCC(c1ccccc1)c1ccccc1)C(=O)Nc1ccn[nH]1
InChIInChI=1S/C20H20N4O2/c25-19(20(26)23-18-12-14-22-24-18)21-13-11-17(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,12,14,17H,11,13H2,(H,21,25)(H2,22,23,24,26)
InChIKeyCPPMMGPYKURPTH-UHFFFAOYSA-N
XLogP2.69
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-diphenylpropyl)-N'-(1H-pyrazol-5-yl)oxamide?
The IUPAC name of N-(3,3-diphenylpropyl)-N'-(1H-pyrazol-5-yl)oxamide (CID 51053905) is N-(3,3-diphenylpropyl)-N'-(1H-pyrazol-5-yl)oxamide.
What is the SMILES notation for N-(3,3-diphenylpropyl)-N'-(1H-pyrazol-5-yl)oxamide?
The canonical SMILES for N-(3,3-diphenylpropyl)-N'-(1H-pyrazol-5-yl)oxamide is O=C(NCCC(c1ccccc1)c1ccccc1)C(=O)Nc1ccn[nH]1.
What is the InChIKey of N-(3,3-diphenylpropyl)-N'-(1H-pyrazol-5-yl)oxamide?
The InChIKey is CPPMMGPYKURPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c25-19(20(26)23-18-12-14-22-24-18)21-13-11-17(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,12,14,17H,11,13H2,(H,21,25)(H2,22,23,24,26).
What are the key properties of N-(3,3-diphenylpropyl)-N'-(1H-pyrazol-5-yl)oxamide?
N-(3,3-diphenylpropyl)-N'-(1H-pyrazol-5-yl)oxamide has a molecular weight of 348.41 g/mol, XLogP of 2.69, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-diphenylpropyl)-N'-(1H-pyrazol-5-yl)oxamide is sourced from PubChem (CID 51053905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).