N-(2,5-dimethylpyrazol-3-yl)-N'-(4-methylthiophen-3-yl)oxamide

C12H14N4O2S — CID 91650906

IUPACN-(2,5-dimethylpyrazol-3-yl)-N'-(4-methylthiophen-3-yl)oxamide
SMILESCc1cc(NC(=O)C(=O)Nc2cscc2C)n(C)n1
InChIInChI=1S/C12H14N4O2S/c1-7-5-19-6-9(7)13-11(17)12(18)14-10-4-8(2)15-16(10)3/h4-6H,1-3H3,(H,13,17)(H,14,18)
InChIKeyMIXJQRPVSVVBRA-UHFFFAOYSA-N
MW278.34 g/mol
LogP1.68
Rot. Bonds2

About N-(2,5-dimethylpyrazol-3-yl)-N'-(4-methylthiophen-3-yl)oxamide

N-(2,5-dimethylpyrazol-3-yl)-N'-(4-methylthiophen-3-yl)oxamide (PubChem CID 91650906) has the molecular formula C12H14N4O2S and a molecular weight of 278.34 g/mol. Its IUPAC name is N-(2,5-dimethylpyrazol-3-yl)-N'-(4-methylthiophen-3-yl)oxamide.

Molecular Properties

Compound NameN-(2,5-dimethylpyrazol-3-yl)-N'-(4-methylthiophen-3-yl)oxamide
PubChem CID91650906
Molecular FormulaC12H14N4O2S
Molecular Weight278.34 g/mol
Exact Mass278.08
IUPAC NameN-(2,5-dimethylpyrazol-3-yl)-N'-(4-methylthiophen-3-yl)oxamide
SMILESCc1cc(NC(=O)C(=O)Nc2cscc2C)n(C)n1
InChIInChI=1S/C12H14N4O2S/c1-7-5-19-6-9(7)13-11(17)12(18)14-10-4-8(2)15-16(10)3/h4-6H,1-3H3,(H,13,17)(H,14,18)
InChIKeyMIXJQRPVSVVBRA-UHFFFAOYSA-N
XLogP1.68
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 51.68
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'-(4-methylthiophen-3-yl)oxamide
CID 131086394
N'-[(2R)-3,3-dimethylbutan-2-yl]-N-(2,5-dimethylpyrazol-3-yl)oxamide
CID 99598507
N-(2,5-dimethylpyrazol-3-yl)-2-hydroxypropanamide
CID 130679371
N-(2,5-dimethylpyrazol-3-yl)-2-(ethylamino)acetamide
CID 60703413
N-(2,5-dimethylpyrazol-3-yl)-2-(1,3-thiazol-4-yl)acetamide
CID 110472608
1-(2,5-dimethylpyrazol-3-yl)-3-propan-2-ylurea
CID 115581839
2-chloro-N-(2,5-dimethylpyrazol-3-yl)propanamide
CID 43180348
2,5-dimethyl-N-(3-methylbut-2-en-2-yl)pyrazol-3-amine
CID 20703482
3-N,5-N-bis(2,5-dimethylpyrazol-3-yl)-1-methylpyrazole-3,5-dicarboxamide
CID 29097376
N'-(2,5-dimethylpyrazol-3-yl)-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]oxamide
CID 100723086
ethane;2-methylprop-1-ene;N-(4-methylthiophen-3-yl)acetamide
CID 143490448
N-(4-cyanophenyl)-N'-(4-methylthiophen-3-yl)oxamide
CID 91650907

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-N'-(4-methylthiophen-3-yl)oxamide?
The IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-N'-(4-methylthiophen-3-yl)oxamide (CID 91650906) is N-(2,5-dimethylpyrazol-3-yl)-N'-(4-methylthiophen-3-yl)oxamide.
What is the SMILES notation for N-(2,5-dimethylpyrazol-3-yl)-N'-(4-methylthiophen-3-yl)oxamide?
The canonical SMILES for N-(2,5-dimethylpyrazol-3-yl)-N'-(4-methylthiophen-3-yl)oxamide is Cc1cc(NC(=O)C(=O)Nc2cscc2C)n(C)n1.
What is the InChIKey of N-(2,5-dimethylpyrazol-3-yl)-N'-(4-methylthiophen-3-yl)oxamide?
The InChIKey is MIXJQRPVSVVBRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S/c1-7-5-19-6-9(7)13-11(17)12(18)14-10-4-8(2)15-16(10)3/h4-6H,1-3H3,(H,13,17)(H,14,18).
What are the key properties of N-(2,5-dimethylpyrazol-3-yl)-N'-(4-methylthiophen-3-yl)oxamide?
N-(2,5-dimethylpyrazol-3-yl)-N'-(4-methylthiophen-3-yl)oxamide has a molecular weight of 278.34 g/mol, XLogP of 1.68, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylpyrazol-3-yl)-N'-(4-methylthiophen-3-yl)oxamide is sourced from PubChem (CID 91650906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).