N'-(1-benzylpyrazol-4-yl)-N-[(5-ethylthiophen-2-yl)methyl]oxamide

C19H20N4O2S — CID 71854653

IUPACN'-(1-benzylpyrazol-4-yl)-N-[(5-ethylthiophen-2-yl)methyl]oxamide
SMILESCCc1ccc(CNC(=O)C(=O)Nc2cnn(Cc3ccccc3)c2)s1
InChIInChI=1S/C19H20N4O2S/c1-2-16-8-9-17(26-16)11-20-18(24)19(25)22-15-10-21-23(13-15)12-14-6-4-3-5-7-14/h3-10,13H,2,11-12H2,1H3,(H,20,24)(H,22,25)
InChIKeyOXTULKIJONWJKM-UHFFFAOYSA-N
MW368.46 g/mol
LogP2.81
Rot. Bonds6

About N'-(1-benzylpyrazol-4-yl)-N-[(5-ethylthiophen-2-yl)methyl]oxamide

N'-(1-benzylpyrazol-4-yl)-N-[(5-ethylthiophen-2-yl)methyl]oxamide (PubChem CID 71854653) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is N'-(1-benzylpyrazol-4-yl)-N-[(5-ethylthiophen-2-yl)methyl]oxamide.

Molecular Properties

Compound NameN'-(1-benzylpyrazol-4-yl)-N-[(5-ethylthiophen-2-yl)methyl]oxamide
PubChem CID71854653
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC NameN'-(1-benzylpyrazol-4-yl)-N-[(5-ethylthiophen-2-yl)methyl]oxamide
SMILESCCc1ccc(CNC(=O)C(=O)Nc2cnn(Cc3ccccc3)c2)s1
InChIInChI=1S/C19H20N4O2S/c1-2-16-8-9-17(26-16)11-20-18(24)19(25)22-15-10-21-23(13-15)12-14-6-4-3-5-7-14/h3-10,13H,2,11-12H2,1H3,(H,20,24)(H,22,25)
InChIKeyOXTULKIJONWJKM-UHFFFAOYSA-N
XLogP2.81
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 52.81
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-(1-benzylpyrazol-4-yl)-1-ethylpyrazole-4-carboxamide
CID 19395795
N-(1-benzylpyrazol-4-yl)-5-ethyl-4-methylfuran-2-carboxamide
CID 167972284
1-(1-benzylpyrazol-4-yl)-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 56818896
N-(1-benzylpyrazol-4-yl)-2,5-dimethylfuran-3-carboxamide
CID 35761599
N-(1-benzylpyrazol-4-yl)-3-chloropropanamide
CID 54867188
N'-(1-benzylpyrazol-4-yl)-N-[(2R)-2-(3-methylphenyl)propyl]oxamide
CID 96539661
1-benzyl-N-[(5-ethylfuran-2-yl)methyl]pyrazol-4-amine
CID 62345818
N-(1-benzylpyrazol-4-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpropanamide
CID 136539407
N-(1-benzylpyrazol-4-yl)-2-bromo-3-methylbutanamide
CID 60934374
N-(1-benzylpyrazol-4-yl)-2-(propan-2-ylamino)acetamide
CID 60945148
1-N-(1-benzylpyrazol-4-yl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide
CID 166194202
N-(1-benzylpyrazol-4-yl)-2-(difluoromethyl)pyrazole-3-carboxamide
CID 19395890

Frequently Asked Questions

What is the IUPAC name of N'-(1-benzylpyrazol-4-yl)-N-[(5-ethylthiophen-2-yl)methyl]oxamide?
The IUPAC name of N'-(1-benzylpyrazol-4-yl)-N-[(5-ethylthiophen-2-yl)methyl]oxamide (CID 71854653) is N'-(1-benzylpyrazol-4-yl)-N-[(5-ethylthiophen-2-yl)methyl]oxamide.
What is the SMILES notation for N'-(1-benzylpyrazol-4-yl)-N-[(5-ethylthiophen-2-yl)methyl]oxamide?
The canonical SMILES for N'-(1-benzylpyrazol-4-yl)-N-[(5-ethylthiophen-2-yl)methyl]oxamide is CCc1ccc(CNC(=O)C(=O)Nc2cnn(Cc3ccccc3)c2)s1.
What is the InChIKey of N'-(1-benzylpyrazol-4-yl)-N-[(5-ethylthiophen-2-yl)methyl]oxamide?
The InChIKey is OXTULKIJONWJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-2-16-8-9-17(26-16)11-20-18(24)19(25)22-15-10-21-23(13-15)12-14-6-4-3-5-7-14/h3-10,13H,2,11-12H2,1H3,(H,20,24)(H,22,25).
What are the key properties of N'-(1-benzylpyrazol-4-yl)-N-[(5-ethylthiophen-2-yl)methyl]oxamide?
N'-(1-benzylpyrazol-4-yl)-N-[(5-ethylthiophen-2-yl)methyl]oxamide has a molecular weight of 368.46 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-benzylpyrazol-4-yl)-N-[(5-ethylthiophen-2-yl)methyl]oxamide is sourced from PubChem (CID 71854653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).