N-(4,4-dimethylpentyl)-N'-(1,3-dimethylpyrazol-4-yl)oxamide

C14H24N4O2 — CID 71846896

IUPACN-(4,4-dimethylpentyl)-N'-(1,3-dimethylpyrazol-4-yl)oxamide
SMILESCc1nn(C)cc1NC(=O)C(=O)NCCCC(C)(C)C
InChIInChI=1S/C14H24N4O2/c1-10-11(9-18(5)17-10)16-13(20)12(19)15-8-6-7-14(2,3)4/h9H,6-8H2,1-5H3,(H,15,19)(H,16,20)
InChIKeyQEZOFQGFTFYVCL-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.61
Rot. Bonds4

About N-(4,4-dimethylpentyl)-N'-(1,3-dimethylpyrazol-4-yl)oxamide

N-(4,4-dimethylpentyl)-N'-(1,3-dimethylpyrazol-4-yl)oxamide (PubChem CID 71846896) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is N-(4,4-dimethylpentyl)-N'-(1,3-dimethylpyrazol-4-yl)oxamide.

Molecular Properties

Compound NameN-(4,4-dimethylpentyl)-N'-(1,3-dimethylpyrazol-4-yl)oxamide
PubChem CID71846896
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC NameN-(4,4-dimethylpentyl)-N'-(1,3-dimethylpyrazol-4-yl)oxamide
SMILESCc1nn(C)cc1NC(=O)C(=O)NCCCC(C)(C)C
InChIInChI=1S/C14H24N4O2/c1-10-11(9-18(5)17-10)16-13(20)12(19)15-8-6-7-14(2,3)4/h9H,6-8H2,1-5H3,(H,15,19)(H,16,20)
InChIKeyQEZOFQGFTFYVCL-UHFFFAOYSA-N
XLogP1.61
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(cyanomethyl)-N'-(1,3-dimethylpyrazol-4-yl)oxamide
CID 102805642
N-(1,3-dimethylpyrazol-4-yl)-2-hydrazinyl-2-oxoacetamide
CID 102806911
2-[[(1,3-dimethylpyrazol-4-yl)carbamoylamino]methyl]-4,4-dimethylpentanoic acid
CID 107474760
N-(1,3-dimethylpyrazol-4-yl)-2-sulfanylacetamide
CID 102807672
N-(1,3-dimethylpyrazol-4-yl)-2-(propylamino)acetamide
CID 102805551
2-[(1,3-dimethylpyrazol-4-yl)carbamoyl]-3,6-dimethylbenzoic acid
CID 103429481
2-chloro-N-[(1,3-dimethylpyrazol-4-yl)carbamoyl]acetamide
CID 102806777
3-(dimethylamino)-N-(1,3-dimethylpyrazol-4-yl)-2,2-difluoropropanamide
CID 166390710
N-(1,3-dimethylpyrazol-4-yl)-4-oxopentanamide
CID 102805637
1-(3-cyclohexylsulfanylpropyl)-3-(1,3-dimethylpyrazol-4-yl)urea
CID 74249616
N-(1,3-dimethylpyrazol-4-yl)-4-(propylamino)benzamide
CID 102807314
N-(3-methoxy-3-methylbutyl)-1,3-dimethylpyrazol-4-amine
CID 103033669

Frequently Asked Questions

What is the IUPAC name of N-(4,4-dimethylpentyl)-N'-(1,3-dimethylpyrazol-4-yl)oxamide?
The IUPAC name of N-(4,4-dimethylpentyl)-N'-(1,3-dimethylpyrazol-4-yl)oxamide (CID 71846896) is N-(4,4-dimethylpentyl)-N'-(1,3-dimethylpyrazol-4-yl)oxamide.
What is the SMILES notation for N-(4,4-dimethylpentyl)-N'-(1,3-dimethylpyrazol-4-yl)oxamide?
The canonical SMILES for N-(4,4-dimethylpentyl)-N'-(1,3-dimethylpyrazol-4-yl)oxamide is Cc1nn(C)cc1NC(=O)C(=O)NCCCC(C)(C)C.
What is the InChIKey of N-(4,4-dimethylpentyl)-N'-(1,3-dimethylpyrazol-4-yl)oxamide?
The InChIKey is QEZOFQGFTFYVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-10-11(9-18(5)17-10)16-13(20)12(19)15-8-6-7-14(2,3)4/h9H,6-8H2,1-5H3,(H,15,19)(H,16,20).
What are the key properties of N-(4,4-dimethylpentyl)-N'-(1,3-dimethylpyrazol-4-yl)oxamide?
N-(4,4-dimethylpentyl)-N'-(1,3-dimethylpyrazol-4-yl)oxamide has a molecular weight of 280.37 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethylpentyl)-N'-(1,3-dimethylpyrazol-4-yl)oxamide is sourced from PubChem (CID 71846896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).