N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide

C17H25N5O2S — CID 135739544

IUPACN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESCCCc1cc(=O)[nH]c(SCC(=O)NCCCn2nc(C)cc2C)n1
InChIInChI=1S/C17H25N5O2S/c1-4-6-14-10-15(23)20-17(19-14)25-11-16(24)18-7-5-8-22-13(3)9-12(2)21-22/h9-10H,4-8,11H2,1-3H3,(H,18,24)(H,19,20,23)
InChIKeyBEUOOYJGFZKPKN-UHFFFAOYSA-N
MW363.49 g/mol
LogP1.83
Rot. Bonds9

About N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide

N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide (PubChem CID 135739544) has the molecular formula C17H25N5O2S and a molecular weight of 363.49 g/mol. Its IUPAC name is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
PubChem CID135739544
Molecular FormulaC17H25N5O2S
Molecular Weight363.49 g/mol
Exact Mass363.17
IUPAC NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESCCCc1cc(=O)[nH]c(SCC(=O)NCCCn2nc(C)cc2C)n1
InChIInChI=1S/C17H25N5O2S/c1-4-6-14-10-15(23)20-17(19-14)25-11-16(24)18-7-5-8-22-13(3)9-12(2)21-22/h9-10H,4-8,11H2,1-3H3,(H,18,24)(H,19,20,23)
InChIKeyBEUOOYJGFZKPKN-UHFFFAOYSA-N
XLogP1.83
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.49
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide (CID 135739544) is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide is CCCc1cc(=O)[nH]c(SCC(=O)NCCCn2nc(C)cc2C)n1.
What is the InChIKey of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The InChIKey is BEUOOYJGFZKPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2S/c1-4-6-14-10-15(23)20-17(19-14)25-11-16(24)18-7-5-8-22-13(3)9-12(2)21-22/h9-10H,4-8,11H2,1-3H3,(H,18,24)(H,19,20,23).
What are the key properties of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide?
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide has a molecular weight of 363.49 g/mol, XLogP of 1.83, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 135739544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).