1-methyl-5-(4-methylsulfanyl-1H-pyrazol-5-yl)-3,6-dihydro-2H-pyridine

C10H15N3S — CID 25207467

IUPAC1-methyl-5-(4-methylsulfanyl-1H-pyrazol-5-yl)-3,6-dihydro-2H-pyridine
SMILESCSc1cn[nH]c1C1=CCCN(C)C1
InChIInChI=1S/C10H15N3S/c1-13-5-3-4-8(7-13)10-9(14-2)6-11-12-10/h4,6H,3,5,7H2,1-2H3,(H,11,12)
InChIKeyXVCGLTVXYSRFEF-UHFFFAOYSA-N
MW209.32 g/mol
LogP1.85
Rot. Bonds2

About 1-methyl-5-(4-methylsulfanyl-1H-pyrazol-5-yl)-3,6-dihydro-2H-pyridine

1-methyl-5-(4-methylsulfanyl-1H-pyrazol-5-yl)-3,6-dihydro-2H-pyridine (PubChem CID 25207467) has the molecular formula C10H15N3S and a molecular weight of 209.32 g/mol. Its IUPAC name is 1-methyl-5-(4-methylsulfanyl-1H-pyrazol-5-yl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-methyl-5-(4-methylsulfanyl-1H-pyrazol-5-yl)-3,6-dihydro-2H-pyridine
PubChem CID25207467
Molecular FormulaC10H15N3S
Molecular Weight209.32 g/mol
Exact Mass209.10
IUPAC Name1-methyl-5-(4-methylsulfanyl-1H-pyrazol-5-yl)-3,6-dihydro-2H-pyridine
SMILESCSc1cn[nH]c1C1=CCCN(C)C1
InChIInChI=1S/C10H15N3S/c1-13-5-3-4-8(7-13)10-9(14-2)6-11-12-10/h4,6H,3,5,7H2,1-2H3,(H,11,12)
InChIKeyXVCGLTVXYSRFEF-UHFFFAOYSA-N
XLogP1.85
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.32
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(4-methylsulfanyl-1H-pyrazol-5-yl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-methyl-5-(4-methylsulfanyl-1H-pyrazol-5-yl)-3,6-dihydro-2H-pyridine (CID 25207467) is 1-methyl-5-(4-methylsulfanyl-1H-pyrazol-5-yl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-methyl-5-(4-methylsulfanyl-1H-pyrazol-5-yl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-methyl-5-(4-methylsulfanyl-1H-pyrazol-5-yl)-3,6-dihydro-2H-pyridine is CSc1cn[nH]c1C1=CCCN(C)C1.
What is the InChIKey of 1-methyl-5-(4-methylsulfanyl-1H-pyrazol-5-yl)-3,6-dihydro-2H-pyridine?
The InChIKey is XVCGLTVXYSRFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3S/c1-13-5-3-4-8(7-13)10-9(14-2)6-11-12-10/h4,6H,3,5,7H2,1-2H3,(H,11,12).
What are the key properties of 1-methyl-5-(4-methylsulfanyl-1H-pyrazol-5-yl)-3,6-dihydro-2H-pyridine?
1-methyl-5-(4-methylsulfanyl-1H-pyrazol-5-yl)-3,6-dihydro-2H-pyridine has a molecular weight of 209.32 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(4-methylsulfanyl-1H-pyrazol-5-yl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 25207467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).