N-(4-methylphenyl)-N'-(5-methyl-1H-pyrazol-3-yl)oxamide

C13H14N4O2 — CID 63820246

IUPACN-(4-methylphenyl)-N'-(5-methyl-1H-pyrazol-3-yl)oxamide
SMILESCc1ccc(NC(=O)C(=O)Nc2cc(C)[nH]n2)cc1
InChIInChI=1S/C13H14N4O2/c1-8-3-5-10(6-4-8)14-12(18)13(19)15-11-7-9(2)16-17-11/h3-7H,1-2H3,(H,14,18)(H2,15,16,17,19)
InChIKeyDDSLZQLULIGOQX-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.60
Rot. Bonds2

About N-(4-methylphenyl)-N'-(5-methyl-1H-pyrazol-3-yl)oxamide

N-(4-methylphenyl)-N'-(5-methyl-1H-pyrazol-3-yl)oxamide (PubChem CID 63820246) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is N-(4-methylphenyl)-N'-(5-methyl-1H-pyrazol-3-yl)oxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-N'-(5-methyl-1H-pyrazol-3-yl)oxamide
PubChem CID63820246
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC NameN-(4-methylphenyl)-N'-(5-methyl-1H-pyrazol-3-yl)oxamide
SMILESCc1ccc(NC(=O)C(=O)Nc2cc(C)[nH]n2)cc1
InChIInChI=1S/C13H14N4O2/c1-8-3-5-10(6-4-8)14-12(18)13(19)15-11-7-9(2)16-17-11/h3-7H,1-2H3,(H,14,18)(H2,15,16,17,19)
InChIKeyDDSLZQLULIGOQX-UHFFFAOYSA-N
XLogP1.60
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(5-ethyl-1H-pyrazol-3-yl)-3-(4-methylphenyl)urea
CID 104620407
(5-methyl-1H-pyrazol-3-yl)carbamic acid
CID 23091960
1-(5-tert-butyl-1H-pyrazol-3-yl)-3-(4-methylphenyl)urea
CID 104620496
1-(3-methylphenyl)-3-(5-methyl-1H-pyrazol-3-yl)urea
CID 55262140
4-methyl-3-[(4-methylphenyl)sulfamoyl]-N-(5-methyl-1H-pyrazol-3-yl)benzamide
CID 134025456
2-hydroxy-N-(5-methyl-1H-pyrazol-3-yl)propanamide
CID 117099978
2-N,6-N-bis(5-methyl-1H-pyrazol-3-yl)pyridine-2,6-dicarboxamide
CID 12073846
3-(2,4-dimethylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide
CID 78952320
1-(5-methyl-1H-pyrazol-3-yl)-3-(2-phenylpyrimidin-5-yl)urea
CID 99835736
N-[4-(3-acetamido-1H-pyrazol-5-yl)phenyl]acetamide
CID 2268930
1-(4-ethylphenyl)-3-(5-methyl-1H-pyrazol-3-yl)thiourea
CID 17123887
1-(4-methylphenyl)-3-[5-(4-methylphenyl)-1H-pyrazol-3-yl]thiourea
CID 2384954

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-N'-(5-methyl-1H-pyrazol-3-yl)oxamide?
The IUPAC name of N-(4-methylphenyl)-N'-(5-methyl-1H-pyrazol-3-yl)oxamide (CID 63820246) is N-(4-methylphenyl)-N'-(5-methyl-1H-pyrazol-3-yl)oxamide.
What is the SMILES notation for N-(4-methylphenyl)-N'-(5-methyl-1H-pyrazol-3-yl)oxamide?
The canonical SMILES for N-(4-methylphenyl)-N'-(5-methyl-1H-pyrazol-3-yl)oxamide is Cc1ccc(NC(=O)C(=O)Nc2cc(C)[nH]n2)cc1.
What is the InChIKey of N-(4-methylphenyl)-N'-(5-methyl-1H-pyrazol-3-yl)oxamide?
The InChIKey is DDSLZQLULIGOQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-8-3-5-10(6-4-8)14-12(18)13(19)15-11-7-9(2)16-17-11/h3-7H,1-2H3,(H,14,18)(H2,15,16,17,19).
What are the key properties of N-(4-methylphenyl)-N'-(5-methyl-1H-pyrazol-3-yl)oxamide?
N-(4-methylphenyl)-N'-(5-methyl-1H-pyrazol-3-yl)oxamide has a molecular weight of 258.28 g/mol, XLogP of 1.60, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-N'-(5-methyl-1H-pyrazol-3-yl)oxamide is sourced from PubChem (CID 63820246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).