2-(5-amino-3-thiophen-2-ylpyrazol-1-yl)-4-methyl-1H-pyrimidin-6-one

C12H11N5OS — CID 135876316

IUPAC2-(5-amino-3-thiophen-2-ylpyrazol-1-yl)-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(-n2nc(-c3cccs3)cc2N)n1
InChIInChI=1S/C12H11N5OS/c1-7-5-11(18)15-12(14-7)17-10(13)6-8(16-17)9-3-2-4-19-9/h2-6H,13H2,1H3,(H,14,15,18)
InChIKeyJCEFPTUTBIWPQN-UHFFFAOYSA-N
MW273.32 g/mol
LogP1.57
Rot. Bonds2

About 2-(5-amino-3-thiophen-2-ylpyrazol-1-yl)-4-methyl-1H-pyrimidin-6-one

2-(5-amino-3-thiophen-2-ylpyrazol-1-yl)-4-methyl-1H-pyrimidin-6-one (PubChem CID 135876316) has the molecular formula C12H11N5OS and a molecular weight of 273.32 g/mol. Its IUPAC name is 2-(5-amino-3-thiophen-2-ylpyrazol-1-yl)-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(5-amino-3-thiophen-2-ylpyrazol-1-yl)-4-methyl-1H-pyrimidin-6-one
PubChem CID135876316
Molecular FormulaC12H11N5OS
Molecular Weight273.32 g/mol
Exact Mass273.07
IUPAC Name2-(5-amino-3-thiophen-2-ylpyrazol-1-yl)-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(-n2nc(-c3cccs3)cc2N)n1
InChIInChI=1S/C12H11N5OS/c1-7-5-11(18)15-12(14-7)17-10(13)6-8(16-17)9-3-2-4-19-9/h2-6H,13H2,1H3,(H,14,15,18)
InChIKeyJCEFPTUTBIWPQN-UHFFFAOYSA-N
XLogP1.57
TPSA89.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-Methyl-3-(thiophen-2-yl)-1H-pyrazol-5-amine
CID 2735377
N-(1-methyl-3-phenyl-1H-pyrazol-5-yl)-2-thiophenecarboxamide
CID 2814958
1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-5-amine
CID 16228641
5-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)thiophene-2-carboxamide
CID 2123569
N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)thiophene-2-carboxamide
CID 2395532
N-[1-(4-iodophenyl)-3-thiophen-2-ylpyrazol-5-yl]cyclobutanecarboxamide
CID 2742763
1-(2-Methyl-5-phenylpyrazol-3-yl)-3-thiophen-2-ylurea
CID 2815277
2-[5-amino-3-(2-thienyl)-1H-pyrazol-1-yl]-5,6-dimethylpyrimidin-4(3H)-one
CID 135876321
N-(1-(4,5-dimethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-(thiophen-2-yl)-1H-pyrazol-5-yl)-4-fluorobenzamide
CID 135881073
US10118930, Example 25
CID 137018450
Pyrazolo(1,5-a)pyrimidin-7(4H)-one, 4-ethyl-2-(2-thienyl)-
CID 3073476
(E)-N-[5-methyl-2-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]-3-thiophen-2-ylprop-2-enamide
CID 2334628

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-3-thiophen-2-ylpyrazol-1-yl)-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(5-amino-3-thiophen-2-ylpyrazol-1-yl)-4-methyl-1H-pyrimidin-6-one (CID 135876316) is 2-(5-amino-3-thiophen-2-ylpyrazol-1-yl)-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(5-amino-3-thiophen-2-ylpyrazol-1-yl)-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(5-amino-3-thiophen-2-ylpyrazol-1-yl)-4-methyl-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(-n2nc(-c3cccs3)cc2N)n1.
What is the InChIKey of 2-(5-amino-3-thiophen-2-ylpyrazol-1-yl)-4-methyl-1H-pyrimidin-6-one?
The InChIKey is JCEFPTUTBIWPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5OS/c1-7-5-11(18)15-12(14-7)17-10(13)6-8(16-17)9-3-2-4-19-9/h2-6H,13H2,1H3,(H,14,15,18).
What are the key properties of 2-(5-amino-3-thiophen-2-ylpyrazol-1-yl)-4-methyl-1H-pyrimidin-6-one?
2-(5-amino-3-thiophen-2-ylpyrazol-1-yl)-4-methyl-1H-pyrimidin-6-one has a molecular weight of 273.32 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-3-thiophen-2-ylpyrazol-1-yl)-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135876316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).