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

C14H15N5OS — CID 135984526

IUPAC2-(5-amino-3-thiophen-2-ylpyrazol-1-yl)-5-ethyl-4-methyl-1H-pyrimidin-6-one
SMILESCCc1c(C)nc(-n2nc(-c3cccs3)cc2N)[nH]c1=O
InChIInChI=1S/C14H15N5OS/c1-3-9-8(2)16-14(17-13(9)20)19-12(15)7-10(18-19)11-5-4-6-21-11/h4-7H,3,15H2,1-2H3,(H,16,17,20)
InChIKeyYPPMKVHXRSODFL-UHFFFAOYSA-N
MW301.38 g/mol
LogP2.14
Rot. Bonds3

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

2-(5-amino-3-thiophen-2-ylpyrazol-1-yl)-5-ethyl-4-methyl-1H-pyrimidin-6-one (PubChem CID 135984526) has the molecular formula C14H15N5OS and a molecular weight of 301.38 g/mol. Its IUPAC name is 2-(5-amino-3-thiophen-2-ylpyrazol-1-yl)-5-ethyl-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(5-amino-3-thiophen-2-ylpyrazol-1-yl)-5-ethyl-4-methyl-1H-pyrimidin-6-one
PubChem CID135984526
Molecular FormulaC14H15N5OS
Molecular Weight301.38 g/mol
Exact Mass301.10
IUPAC Name2-(5-amino-3-thiophen-2-ylpyrazol-1-yl)-5-ethyl-4-methyl-1H-pyrimidin-6-one
SMILESCCc1c(C)nc(-n2nc(-c3cccs3)cc2N)[nH]c1=O
InChIInChI=1S/C14H15N5OS/c1-3-9-8(2)16-14(17-13(9)20)19-12(15)7-10(18-19)11-5-4-6-21-11/h4-7H,3,15H2,1-2H3,(H,16,17,20)
InChIKeyYPPMKVHXRSODFL-UHFFFAOYSA-N
XLogP2.14
TPSA89.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-Methyl-3-(thiophen-2-yl)-4,5,7-triazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),3-trien-8-one
CID 135875698
Thiophene-2-carboxylic acid (2,5-diphenyl-2H-pyrazol-3-yl)-amide
CID 11152155
5-Methyl-3-(thiophen-2-yl)-11-thia-4,5,7-triazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),3-trien-8-one
CID 135875694
N-(1-methyl-3-phenyl-1H-pyrazol-5-yl)-2-thiophenecarboxamide
CID 2814958
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
5-methyl-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]thiophene-2-carboxamide
CID 2414907
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-methylthiophene-2-carboxamide
CID 2473799
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
Thiophene-3-carboxylic acid (2,5-diphenyl-2H-pyrazol-3-yl)-amide
CID 11371383
2-[5-amino-3-(2-thienyl)-1H-pyrazol-1-yl]-5,6-dimethylpyrimidin-4(3H)-one
CID 135876321

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-3-thiophen-2-ylpyrazol-1-yl)-5-ethyl-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(5-amino-3-thiophen-2-ylpyrazol-1-yl)-5-ethyl-4-methyl-1H-pyrimidin-6-one (CID 135984526) is 2-(5-amino-3-thiophen-2-ylpyrazol-1-yl)-5-ethyl-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(5-amino-3-thiophen-2-ylpyrazol-1-yl)-5-ethyl-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(5-amino-3-thiophen-2-ylpyrazol-1-yl)-5-ethyl-4-methyl-1H-pyrimidin-6-one is CCc1c(C)nc(-n2nc(-c3cccs3)cc2N)[nH]c1=O.
What is the InChIKey of 2-(5-amino-3-thiophen-2-ylpyrazol-1-yl)-5-ethyl-4-methyl-1H-pyrimidin-6-one?
The InChIKey is YPPMKVHXRSODFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5OS/c1-3-9-8(2)16-14(17-13(9)20)19-12(15)7-10(18-19)11-5-4-6-21-11/h4-7H,3,15H2,1-2H3,(H,16,17,20).
What are the key properties of 2-(5-amino-3-thiophen-2-ylpyrazol-1-yl)-5-ethyl-4-methyl-1H-pyrimidin-6-one?
2-(5-amino-3-thiophen-2-ylpyrazol-1-yl)-5-ethyl-4-methyl-1H-pyrimidin-6-one has a molecular weight of 301.38 g/mol, XLogP of 2.14, 3 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)-5-ethyl-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135984526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).