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

C14H15N5OS — CID 135984525

IUPAC2-(5-amino-3-thiophen-2-ylpyrazol-1-yl)-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1cc(=O)[nH]c(-n2nc(-c3cccs3)cc2N)n1
InChIInChI=1S/C14H15N5OS/c1-2-4-9-7-13(20)17-14(16-9)19-12(15)8-10(18-19)11-5-3-6-21-11/h3,5-8H,2,4,15H2,1H3,(H,16,17,20)
InChIKeyVPTIOZLACOJJLS-UHFFFAOYSA-N
MW301.38 g/mol
LogP2.22
Rot. Bonds4

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

2-(5-amino-3-thiophen-2-ylpyrazol-1-yl)-4-propyl-1H-pyrimidin-6-one (PubChem CID 135984525) 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)-4-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(5-amino-3-thiophen-2-ylpyrazol-1-yl)-4-propyl-1H-pyrimidin-6-one
PubChem CID135984525
Molecular FormulaC14H15N5OS
Molecular Weight301.38 g/mol
Exact Mass301.10
IUPAC Name2-(5-amino-3-thiophen-2-ylpyrazol-1-yl)-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1cc(=O)[nH]c(-n2nc(-c3cccs3)cc2N)n1
InChIInChI=1S/C14H15N5OS/c1-2-4-9-7-13(20)17-14(16-9)19-12(15)8-10(18-19)11-5-3-6-21-11/h3,5-8H,2,4,15H2,1H3,(H,16,17,20)
InChIKeyVPTIOZLACOJJLS-UHFFFAOYSA-N
XLogP2.22
TPSA89.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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-propyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(5-amino-3-thiophen-2-ylpyrazol-1-yl)-4-propyl-1H-pyrimidin-6-one (CID 135984525) is 2-(5-amino-3-thiophen-2-ylpyrazol-1-yl)-4-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(5-amino-3-thiophen-2-ylpyrazol-1-yl)-4-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(5-amino-3-thiophen-2-ylpyrazol-1-yl)-4-propyl-1H-pyrimidin-6-one is CCCc1cc(=O)[nH]c(-n2nc(-c3cccs3)cc2N)n1.
What is the InChIKey of 2-(5-amino-3-thiophen-2-ylpyrazol-1-yl)-4-propyl-1H-pyrimidin-6-one?
The InChIKey is VPTIOZLACOJJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5OS/c1-2-4-9-7-13(20)17-14(16-9)19-12(15)8-10(18-19)11-5-3-6-21-11/h3,5-8H,2,4,15H2,1H3,(H,16,17,20).
What are the key properties of 2-(5-amino-3-thiophen-2-ylpyrazol-1-yl)-4-propyl-1H-pyrimidin-6-one?
2-(5-amino-3-thiophen-2-ylpyrazol-1-yl)-4-propyl-1H-pyrimidin-6-one has a molecular weight of 301.38 g/mol, XLogP of 2.22, 4 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-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135984525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).