(3S)-3-methyl-6-(1-methylpyrazol-3-yl)-1,2,3,4-tetrahydropyridine

C10H15N3 — CID 169114654

IUPAC(3S)-3-methyl-6-(1-methylpyrazol-3-yl)-1,2,3,4-tetrahydropyridine
SMILESC[C@H]1CC=C(c2ccn(C)n2)NC1
InChIInChI=1S/C10H15N3/c1-8-3-4-9(11-7-8)10-5-6-13(2)12-10/h4-6,8,11H,3,7H2,1-2H3/t8-/m0/s1
InChIKeyLLDXKMLJCPWIIH-QMMMGPOBSA-N
MW177.25 g/mol
LogP1.39
Rot. Bonds1

About (3S)-3-methyl-6-(1-methylpyrazol-3-yl)-1,2,3,4-tetrahydropyridine

(3S)-3-methyl-6-(1-methylpyrazol-3-yl)-1,2,3,4-tetrahydropyridine (PubChem CID 169114654) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is (3S)-3-methyl-6-(1-methylpyrazol-3-yl)-1,2,3,4-tetrahydropyridine.

Molecular Properties

Compound Name(3S)-3-methyl-6-(1-methylpyrazol-3-yl)-1,2,3,4-tetrahydropyridine
PubChem CID169114654
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name(3S)-3-methyl-6-(1-methylpyrazol-3-yl)-1,2,3,4-tetrahydropyridine
SMILESC[C@H]1CC=C(c2ccn(C)n2)NC1
InChIInChI=1S/C10H15N3/c1-8-3-4-9(11-7-8)10-5-6-13(2)12-10/h4-6,8,11H,3,7H2,1-2H3/t8-/m0/s1
InChIKeyLLDXKMLJCPWIIH-QMMMGPOBSA-N
XLogP1.39
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-6-(1-methylpyrazol-3-yl)-1,2,3,4-tetrahydropyridine?
The IUPAC name of (3S)-3-methyl-6-(1-methylpyrazol-3-yl)-1,2,3,4-tetrahydropyridine (CID 169114654) is (3S)-3-methyl-6-(1-methylpyrazol-3-yl)-1,2,3,4-tetrahydropyridine.
What is the SMILES notation for (3S)-3-methyl-6-(1-methylpyrazol-3-yl)-1,2,3,4-tetrahydropyridine?
The canonical SMILES for (3S)-3-methyl-6-(1-methylpyrazol-3-yl)-1,2,3,4-tetrahydropyridine is C[C@H]1CC=C(c2ccn(C)n2)NC1.
What is the InChIKey of (3S)-3-methyl-6-(1-methylpyrazol-3-yl)-1,2,3,4-tetrahydropyridine?
The InChIKey is LLDXKMLJCPWIIH-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H15N3/c1-8-3-4-9(11-7-8)10-5-6-13(2)12-10/h4-6,8,11H,3,7H2,1-2H3/t8-/m0/s1.
What are the key properties of (3S)-3-methyl-6-(1-methylpyrazol-3-yl)-1,2,3,4-tetrahydropyridine?
(3S)-3-methyl-6-(1-methylpyrazol-3-yl)-1,2,3,4-tetrahydropyridine has a molecular weight of 177.25 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-6-(1-methylpyrazol-3-yl)-1,2,3,4-tetrahydropyridine is sourced from PubChem (CID 169114654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).