N-[2-(2,6-dimethylpyrimidin-4-yl)-5-methylpyrazol-3-yl]-2-thiophen-2-ylpropanamide

C17H19N5OS — CID 71968169

IUPACN-[2-(2,6-dimethylpyrimidin-4-yl)-5-methylpyrazol-3-yl]-2-thiophen-2-ylpropanamide
SMILESCc1cc(-n2nc(C)cc2NC(=O)C(C)c2cccs2)nc(C)n1
InChIInChI=1S/C17H19N5OS/c1-10-8-15(19-13(4)18-10)22-16(9-11(2)21-22)20-17(23)12(3)14-6-5-7-24-14/h5-9,12H,1-4H3,(H,20,23)
InChIKeyRULZFZAEFSDNDI-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.39
Rot. Bonds4

About N-[2-(2,6-dimethylpyrimidin-4-yl)-5-methylpyrazol-3-yl]-2-thiophen-2-ylpropanamide

N-[2-(2,6-dimethylpyrimidin-4-yl)-5-methylpyrazol-3-yl]-2-thiophen-2-ylpropanamide (PubChem CID 71968169) has the molecular formula C17H19N5OS and a molecular weight of 341.44 g/mol. Its IUPAC name is N-[2-(2,6-dimethylpyrimidin-4-yl)-5-methylpyrazol-3-yl]-2-thiophen-2-ylpropanamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylpyrimidin-4-yl)-5-methylpyrazol-3-yl]-2-thiophen-2-ylpropanamide
PubChem CID71968169
Molecular FormulaC17H19N5OS
Molecular Weight341.44 g/mol
Exact Mass341.13
IUPAC NameN-[2-(2,6-dimethylpyrimidin-4-yl)-5-methylpyrazol-3-yl]-2-thiophen-2-ylpropanamide
SMILESCc1cc(-n2nc(C)cc2NC(=O)C(C)c2cccs2)nc(C)n1
InChIInChI=1S/C17H19N5OS/c1-10-8-15(19-13(4)18-10)22-16(9-11(2)21-22)20-17(23)12(3)14-6-5-7-24-14/h5-9,12H,1-4H3,(H,20,23)
InChIKeyRULZFZAEFSDNDI-UHFFFAOYSA-N
XLogP3.39
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methylpropanamide
CID 2332242
3-methyl-N-[5-methyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazol-3-yl]butanamide
CID 42109154
N-(thiadiazol-5-yl)-2-thiophen-2-ylpropanamide
CID 102562225
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]thiophene-2-carboxamide
CID 50947543
2-bromo-N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)butanamide
CID 108746538
(2R)-2-methoxy-N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)-2-phenylacetamide
CID 124616132
1-(2,6-dimethylpyrimidin-4-yl)-5-methylpyrazole-3-carboxylic acid
CID 134397701
(2R)-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2-thiophen-2-ylpropanamide
CID 95773674
2-chloro-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]propanamide
CID 136636473
N-(5-methyl-2-phenylpyrazol-3-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 17253077
N-[2-(4,8-dimethylquinolin-2-yl)-5-methylpyrazol-3-yl]-2-(2-propan-2-ylphenoxy)propanamide
CID 108769696
N-[5-methyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazol-3-yl]cyclopropanecarboxamide
CID 42109155

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylpyrimidin-4-yl)-5-methylpyrazol-3-yl]-2-thiophen-2-ylpropanamide?
The IUPAC name of N-[2-(2,6-dimethylpyrimidin-4-yl)-5-methylpyrazol-3-yl]-2-thiophen-2-ylpropanamide (CID 71968169) is N-[2-(2,6-dimethylpyrimidin-4-yl)-5-methylpyrazol-3-yl]-2-thiophen-2-ylpropanamide.
What is the SMILES notation for N-[2-(2,6-dimethylpyrimidin-4-yl)-5-methylpyrazol-3-yl]-2-thiophen-2-ylpropanamide?
The canonical SMILES for N-[2-(2,6-dimethylpyrimidin-4-yl)-5-methylpyrazol-3-yl]-2-thiophen-2-ylpropanamide is Cc1cc(-n2nc(C)cc2NC(=O)C(C)c2cccs2)nc(C)n1.
What is the InChIKey of N-[2-(2,6-dimethylpyrimidin-4-yl)-5-methylpyrazol-3-yl]-2-thiophen-2-ylpropanamide?
The InChIKey is RULZFZAEFSDNDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5OS/c1-10-8-15(19-13(4)18-10)22-16(9-11(2)21-22)20-17(23)12(3)14-6-5-7-24-14/h5-9,12H,1-4H3,(H,20,23).
What are the key properties of N-[2-(2,6-dimethylpyrimidin-4-yl)-5-methylpyrazol-3-yl]-2-thiophen-2-ylpropanamide?
N-[2-(2,6-dimethylpyrimidin-4-yl)-5-methylpyrazol-3-yl]-2-thiophen-2-ylpropanamide has a molecular weight of 341.44 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylpyrimidin-4-yl)-5-methylpyrazol-3-yl]-2-thiophen-2-ylpropanamide is sourced from PubChem (CID 71968169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).