3-[2-(2-methylsulfanylethyl)-3,4-dihydropyrazol-5-yl]pyridine

C11H15N3S — CID 71020121

IUPAC3-[2-(2-methylsulfanylethyl)-3,4-dihydropyrazol-5-yl]pyridine
SMILESCSCCN1CCC(c2cccnc2)=N1
InChIInChI=1S/C11H15N3S/c1-15-8-7-14-6-4-11(13-14)10-3-2-5-12-9-10/h2-3,5,9H,4,6-8H2,1H3
InChIKeyMTIPCDMWWKEZIM-UHFFFAOYSA-N
MW221.33 g/mol
LogP1.85
Rot. Bonds4

About 3-[2-(2-methylsulfanylethyl)-3,4-dihydropyrazol-5-yl]pyridine

3-[2-(2-methylsulfanylethyl)-3,4-dihydropyrazol-5-yl]pyridine (PubChem CID 71020121) has the molecular formula C11H15N3S and a molecular weight of 221.33 g/mol. Its IUPAC name is 3-[2-(2-methylsulfanylethyl)-3,4-dihydropyrazol-5-yl]pyridine.

Molecular Properties

Compound Name3-[2-(2-methylsulfanylethyl)-3,4-dihydropyrazol-5-yl]pyridine
PubChem CID71020121
Molecular FormulaC11H15N3S
Molecular Weight221.33 g/mol
Exact Mass221.10
IUPAC Name3-[2-(2-methylsulfanylethyl)-3,4-dihydropyrazol-5-yl]pyridine
SMILESCSCCN1CCC(c2cccnc2)=N1
InChIInChI=1S/C11H15N3S/c1-15-8-7-14-6-4-11(13-14)10-3-2-5-12-9-10/h2-3,5,9H,4,6-8H2,1H3
InChIKeyMTIPCDMWWKEZIM-UHFFFAOYSA-N
XLogP1.85
TPSA28.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-methyl-3,4-dihydro-2H-pyridin-5-yl)pyridine
CID 10942960
(5S)-5-(2-methylsulfanylethyl)-1-(2-pyridin-3-ylethyl)-4,5-dihydroimidazol-2-amine
CID 135386337
3-[4-methyl-5-(2-piperidin-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]pyridine
CID 864779
3-[1-(methylsulfanylmethyl)triazol-4-yl]pyridine
CID 132850274
3-(1-methylpyrazol-4-yl)pyridine;dihydrochloride
CID 119106449
bis(2-methylpropane);3-pyridin-3-ylpyridine
CID 158581875
2-phenyl-5-(5-pyridin-3-yl-4H-pyrazol-3-yl)pyrimidine
CID 162043796
3-(5-ethyl-4-methyl-1,2,4-triazol-3-yl)pyridine
CID 18726700
3-(1-methylpyrrol-2-yl)pyridine
CID 10249
3-(1-methyl(213C)pyrrol-2-yl)(2,3,4,5,6-13C5)pyridine
CID 169444700
cyclopenta[c]azepine
CID 638010
3-[5-(3-chloropropylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]pyridine
CID 53417310

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methylsulfanylethyl)-3,4-dihydropyrazol-5-yl]pyridine?
The IUPAC name of 3-[2-(2-methylsulfanylethyl)-3,4-dihydropyrazol-5-yl]pyridine (CID 71020121) is 3-[2-(2-methylsulfanylethyl)-3,4-dihydropyrazol-5-yl]pyridine.
What is the SMILES notation for 3-[2-(2-methylsulfanylethyl)-3,4-dihydropyrazol-5-yl]pyridine?
The canonical SMILES for 3-[2-(2-methylsulfanylethyl)-3,4-dihydropyrazol-5-yl]pyridine is CSCCN1CCC(c2cccnc2)=N1.
What is the InChIKey of 3-[2-(2-methylsulfanylethyl)-3,4-dihydropyrazol-5-yl]pyridine?
The InChIKey is MTIPCDMWWKEZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S/c1-15-8-7-14-6-4-11(13-14)10-3-2-5-12-9-10/h2-3,5,9H,4,6-8H2,1H3.
What are the key properties of 3-[2-(2-methylsulfanylethyl)-3,4-dihydropyrazol-5-yl]pyridine?
3-[2-(2-methylsulfanylethyl)-3,4-dihydropyrazol-5-yl]pyridine has a molecular weight of 221.33 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methylsulfanylethyl)-3,4-dihydropyrazol-5-yl]pyridine is sourced from PubChem (CID 71020121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).