N'-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]-N-(thiophen-2-ylmethyl)oxamide

C16H16N6O3S — CID 135954063

IUPACN'-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]-N-(thiophen-2-ylmethyl)oxamide
SMILESCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)C(=O)NCc2cccs2)n1
InChIInChI=1S/C16H16N6O3S/c1-9-7-13(23)20-16(18-9)22-12(6-10(2)21-22)19-15(25)14(24)17-8-11-4-3-5-26-11/h3-7H,8H2,1-2H3,(H,17,24)(H,19,25)(H,18,20,23)
InChIKeyFWDKBQGANLPEIX-UHFFFAOYSA-N
MW372.41 g/mol
LogP0.89
Rot. Bonds4

About N'-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]-N-(thiophen-2-ylmethyl)oxamide

N'-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]-N-(thiophen-2-ylmethyl)oxamide (PubChem CID 135954063) has the molecular formula C16H16N6O3S and a molecular weight of 372.41 g/mol. Its IUPAC name is N'-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]-N-(thiophen-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]-N-(thiophen-2-ylmethyl)oxamide
PubChem CID135954063
Molecular FormulaC16H16N6O3S
Molecular Weight372.41 g/mol
Exact Mass372.10
IUPAC NameN'-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]-N-(thiophen-2-ylmethyl)oxamide
SMILESCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)C(=O)NCc2cccs2)n1
InChIInChI=1S/C16H16N6O3S/c1-9-7-13(23)20-16(18-9)22-12(6-10(2)21-22)19-15(25)14(24)17-8-11-4-3-5-26-11/h3-7H,8H2,1-2H3,(H,17,24)(H,19,25)(H,18,20,23)
InChIKeyFWDKBQGANLPEIX-UHFFFAOYSA-N
XLogP0.89
TPSA121.77 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.41
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N'-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]-N-(thiophen-2-ylmethyl)oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl]-N-(2-methylpropyl)-2-thiophen-2-ylacetamide
CID 42733092
2-(5-Methyl-3-nitro-pyrazol-1-yl)-N-thiophen-2-ylmethyl-acetamide
CID 749096
2-[5-amino-3-(2-thienyl)-1H-pyrazol-1-yl]-5,6-dimethylpyrimidin-4(3H)-one
CID 135876321
6-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-1H-pyridin-2-one
CID 118959794
5-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-1H-pyridin-2-one
CID 136953925
US10118930, Example 25
CID 137018450
1-(2,5-Dimethylpyrazol-3-yl)-3-(2-thiophen-2-ylethyl)urea
CID 47198496
2-[5-amino-3-(2-thienyl)-1H-pyrazol-1-yl]-6-methylpyrimidin-4(3H)-one
CID 135876316
3-(3,5-dimethyl-1-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-1H-pyrazol-4-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 135885889
2-(5-amino-3-(thiophen-2-yl)-1H-pyrazol-1-yl)-6-propylpyrimidin-4(3H)-one
CID 135984525
2-[5-amino-3-(2-thienyl)-1H-pyrazol-1-yl]-5-ethyl-6-methylpyrimidin-4(3H)-one
CID 135984526
N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]thiophene-2-carboxamide
CID 135551577

Frequently Asked Questions

What is the IUPAC name of N'-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]-N-(thiophen-2-ylmethyl)oxamide?
The IUPAC name of N'-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]-N-(thiophen-2-ylmethyl)oxamide (CID 135954063) is N'-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]-N-(thiophen-2-ylmethyl)oxamide.
What is the SMILES notation for N'-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]-N-(thiophen-2-ylmethyl)oxamide?
The canonical SMILES for N'-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]-N-(thiophen-2-ylmethyl)oxamide is Cc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)C(=O)NCc2cccs2)n1.
What is the InChIKey of N'-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]-N-(thiophen-2-ylmethyl)oxamide?
The InChIKey is FWDKBQGANLPEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O3S/c1-9-7-13(23)20-16(18-9)22-12(6-10(2)21-22)19-15(25)14(24)17-8-11-4-3-5-26-11/h3-7H,8H2,1-2H3,(H,17,24)(H,19,25)(H,18,20,23).
What are the key properties of N'-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]-N-(thiophen-2-ylmethyl)oxamide?
N'-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]-N-(thiophen-2-ylmethyl)oxamide has a molecular weight of 372.41 g/mol, XLogP of 0.89, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]-N-(thiophen-2-ylmethyl)oxamide is sourced from PubChem (CID 135954063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).